1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol

C169H243Cl6F5N6O35S15 — CID 161151826

IUPAC1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1F.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)nc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1Cl.CC(C)(C)S(=O)(=O)Cc1ccc(O)cc1.CC(C)(C)S(=O)(=O)Cc1cccc(O)c1.COc1cc(C)c(CS(=O)(=O)C(C)(C)C)cn1.COc1ccc(CS(=O)(=O)C(C)(C)C)cn1.COc1ncc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1cc(CS(=O)(=O)C(C)(C)C)cnc1Cl.Cc1cc(F)ncc1CS(=O)(=O)C(C)(C)C.Cc1ccc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1ccccc1CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H20O2S.2C12H19NO3S.C12H18O2S.3C11H14ClFO2S.C11H16ClNO2S.C11H15ClO2S.C11H16FNO2S.C11H15FO2S.C11H17NO3S.2C11H16O3S.C10H14ClNO2S/c1-10-6-7-12(8-11(10)2)9-16(14,15)13(3,4)5;1-9-6-11(16-5)13-7-10(9)8-17(14,15)12(2,3)4;1-9-6-10(7-13-11(9)16-5)8-17(14,15)12(2,3)4;1-10-7-5-6-8-11(10)9-15(13,14)12(2,3)4;1-11(2,3)16(14,15)7-8-4-5-9(13)6-10(8)12;1-11(2,3)16(14,15)7-8-4-5-9(12)6-10(8)13;1-11(2,3)16(14,15)7-8-4-5-10(13)9(12)6-8;1-8-5-9(6-13-10(8)12)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-8-5-10(12)13-6-9(8)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)16(13,14)8-9-5-6-10(15-4)12-7-9;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)15(13,14)8-9-5-4-6-10(12)7-9;1-10(2,3)15(13,14)7-8-4-5-9(11)12-6-8/h6-8H,9H2,1-5H3;2*6-7H,8H2,1-5H3;5-8H,9H2,1-4H3;3*4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-7H,8H2,1-4H3;2*4-7,12H,8H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyUOTYHFQNJIXZNF-UHFFFAOYSA-N
MW3707.52 g/mol
LogP38.58
Rot. Bonds33

About 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol

1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol (PubChem CID 161151826) has the molecular formula C169H243Cl6F5N6O35S15 and a molecular weight of 3707.52 g/mol. Its IUPAC name is 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol.

Molecular Properties

Compound Name1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol
PubChem CID161151826
Molecular FormulaC169H243Cl6F5N6O35S15
Molecular Weight3707.52 g/mol
Exact Mass3701.13
IUPAC Name1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol
SMILESCC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1F.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)nc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1Cl.CC(C)(C)S(=O)(=O)Cc1ccc(O)cc1.CC(C)(C)S(=O)(=O)Cc1cccc(O)c1.COc1cc(C)c(CS(=O)(=O)C(C)(C)C)cn1.COc1ccc(CS(=O)(=O)C(C)(C)C)cn1.COc1ncc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1cc(CS(=O)(=O)C(C)(C)C)cnc1Cl.Cc1cc(F)ncc1CS(=O)(=O)C(C)(C)C.Cc1ccc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1ccccc1CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C13H20O2S.2C12H19NO3S.C12H18O2S.3C11H14ClFO2S.C11H16ClNO2S.C11H15ClO2S.C11H16FNO2S.C11H15FO2S.C11H17NO3S.2C11H16O3S.C10H14ClNO2S/c1-10-6-7-12(8-11(10)2)9-16(14,15)13(3,4)5;1-9-6-11(16-5)13-7-10(9)8-17(14,15)12(2,3)4;1-9-6-10(7-13-11(9)16-5)8-17(14,15)12(2,3)4;1-10-7-5-6-8-11(10)9-15(13,14)12(2,3)4;1-11(2,3)16(14,15)7-8-4-5-9(13)6-10(8)12;1-11(2,3)16(14,15)7-8-4-5-9(12)6-10(8)13;1-11(2,3)16(14,15)7-8-4-5-10(13)9(12)6-8;1-8-5-9(6-13-10(8)12)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-8-5-10(12)13-6-9(8)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)16(13,14)8-9-5-6-10(15-4)12-7-9;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)15(13,14)8-9-5-4-6-10(12)7-9;1-10(2,3)15(13,14)7-8-4-5-9(11)12-6-8/h6-8H,9H2,1-5H3;2*6-7H,8H2,1-5H3;5-8H,9H2,1-4H3;3*4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-7H,8H2,1-4H3;2*4-7,12H,8H2,1-3H3;4-6H,7H2,1-3H3
InChIKeyUOTYHFQNJIXZNF-UHFFFAOYSA-N
XLogP38.58
TPSA657.59 Ų
H-Bond Donors2
H-Bond Acceptors41
Rotatable Bonds33
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003707.52
LogP ≤ 538.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol?
The IUPAC name of 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol (CID 161151826) is 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol.
What is the SMILES notation for 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol?
The canonical SMILES for 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol is CC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)cc1F.CC(C)(C)S(=O)(=O)Cc1ccc(Cl)nc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)c(Cl)c1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(F)cc1Cl.CC(C)(C)S(=O)(=O)Cc1ccc(O)cc1.CC(C)(C)S(=O)(=O)Cc1cccc(O)c1.COc1cc(C)c(CS(=O)(=O)C(C)(C)C)cn1.COc1ccc(CS(=O)(=O)C(C)(C)C)cn1.COc1ncc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1cc(CS(=O)(=O)C(C)(C)C)cnc1Cl.Cc1cc(F)ncc1CS(=O)(=O)C(C)(C)C.Cc1ccc(CS(=O)(=O)C(C)(C)C)cc1C.Cc1ccccc1CS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol?
The InChIKey is UOTYHFQNJIXZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S.2C12H19NO3S.C12H18O2S.3C11H14ClFO2S.C11H16ClNO2S.C11H15ClO2S.C11H16FNO2S.C11H15FO2S.C11H17NO3S.2C11H16O3S.C10H14ClNO2S/c1-10-6-7-12(8-11(10)2)9-16(14,15)13(3,4)5;1-9-6-11(16-5)13-7-10(9)8-17(14,15)12(2,3)4;1-9-6-10(7-13-11(9)16-5)8-17(14,15)12(2,3)4;1-10-7-5-6-8-11(10)9-15(13,14)12(2,3)4;1-11(2,3)16(14,15)7-8-4-5-9(13)6-10(8)12;1-11(2,3)16(14,15)7-8-4-5-9(12)6-10(8)13;1-11(2,3)16(14,15)7-8-4-5-10(13)9(12)6-8;1-8-5-9(6-13-10(8)12)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-8-5-10(12)13-6-9(8)7-16(14,15)11(2,3)4;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)16(13,14)8-9-5-6-10(15-4)12-7-9;1-11(2,3)15(13,14)8-9-4-6-10(12)7-5-9;1-11(2,3)15(13,14)8-9-5-4-6-10(12)7-9;1-10(2,3)15(13,14)7-8-4-5-9(11)12-6-8/h6-8H,9H2,1-5H3;2*6-7H,8H2,1-5H3;5-8H,9H2,1-4H3;3*4-6H,7H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-6H,7H2,1-4H3;4-7H,8H2,1-3H3;5-7H,8H2,1-4H3;2*4-7,12H,8H2,1-3H3;4-6H,7H2,1-3H3.
What are the key properties of 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol?
1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol has a molecular weight of 3707.52 g/mol, XLogP of 38.58, 33 rotatable bonds, 2 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol is sourced from PubChem (CID 161151826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).