1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine

C148H196ClFN10O29S9 — CID 158828307

IUPAC1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine
SMILESCNS(=O)(=O)c1ccc(C)cc1.COc1ccc(C)cn1.COc1ncccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(CCS(C)(=O)=O)cc1.Cc1ccc(F)c(C)c1.Cc1ccc(S(=O)(=O)N(C)CCO)cc1.Cc1ccc(S(=O)(=O)N2CCCC2C)cc1.Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1ccc(S(=O)(=O)NC(C)CO)cc1.Cc1ccc(S(=O)(=O)NC2CCCC2)cc1.Cc1ccc(S(=O)(=O)NCC(C)O)cc1.Cc1cccc(C(=O)O)c1.Cc1cccc(CO)c1.Cc1cccc(Cl)c1
InChIInChI=1S/3C12H17NO2S.C11H15NO3S.3C10H15NO3S.C10H14O2S.C8H9F.C8H11NO2S.2C8H8O2.C8H10O.C7H7Cl.2C7H9NO/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13;1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11;1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12;1-9-3-5-10(6-4-9)15(13,14)11(2)7-8-12;1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12;1-8-3-5-10(6-4-8)15(13,14)11-7-9(2)12;1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(6-4-7)12(10,11)9-2;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2/h5-8,11H,3-4,9H2,1-2H3;5-8H,2-4,9-10H2,1H3;6-9,11,13H,2-5H2,1H3;2-5H,6-9H2,1H3;3-6,12H,7-8H2,1-2H3;2*3-6,9,11-12H,7H2,1-2H3;3-6H,7-8H2,1-2H3;3-5H,1-2H3;3-6,9H,1-2H3;2*2-5H,1H3,(H,9,10);2-5,9H,6H2,1H3;2-5H,1H3;2*3-5H,1-2H3
InChIKeyIWSMZFSNOHGELR-UHFFFAOYSA-N
MW2922.29 g/mol
LogP24.73
Rot. Bonds31

About 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine

1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 158828307) has the molecular formula C148H196ClFN10O29S9 and a molecular weight of 2922.29 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine
PubChem CID158828307
Molecular FormulaC148H196ClFN10O29S9
Molecular Weight2922.29 g/mol
Exact Mass2919.13
IUPAC Name1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine
SMILESCNS(=O)(=O)c1ccc(C)cc1.COc1ccc(C)cn1.COc1ncccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(CCS(C)(=O)=O)cc1.Cc1ccc(F)c(C)c1.Cc1ccc(S(=O)(=O)N(C)CCO)cc1.Cc1ccc(S(=O)(=O)N2CCCC2C)cc1.Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1ccc(S(=O)(=O)NC(C)CO)cc1.Cc1ccc(S(=O)(=O)NC2CCCC2)cc1.Cc1ccc(S(=O)(=O)NCC(C)O)cc1.Cc1cccc(C(=O)O)c1.Cc1cccc(CO)c1.Cc1cccc(Cl)c1
InChIInChI=1S/3C12H17NO2S.C11H15NO3S.3C10H15NO3S.C10H14O2S.C8H9F.C8H11NO2S.2C8H8O2.C8H10O.C7H7Cl.2C7H9NO/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13;1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11;1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12;1-9-3-5-10(6-4-9)15(13,14)11(2)7-8-12;1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12;1-8-3-5-10(6-4-8)15(13,14)11-7-9(2)12;1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(6-4-7)12(10,11)9-2;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2/h5-8,11H,3-4,9H2,1-2H3;5-8H,2-4,9-10H2,1H3;6-9,11,13H,2-5H2,1H3;2-5H,6-9H2,1H3;3-6,12H,7-8H2,1-2H3;2*3-6,9,11-12H,7H2,1-2H3;3-6H,7-8H2,1-2H3;3-5H,1-2H3;3-6,9H,1-2H3;2*2-5H,1H3,(H,9,10);2-5,9H,6H2,1H3;2-5H,1H3;2*3-5H,1-2H3
InChIKeyIWSMZFSNOHGELR-UHFFFAOYSA-N
XLogP24.73
TPSA577.33 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms198
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002922.29
LogP ≤ 524.73
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine (CID 158828307) is 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine is CNS(=O)(=O)c1ccc(C)cc1.COc1ccc(C)cn1.COc1ncccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(CCS(C)(=O)=O)cc1.Cc1ccc(F)c(C)c1.Cc1ccc(S(=O)(=O)N(C)CCO)cc1.Cc1ccc(S(=O)(=O)N2CCCC2C)cc1.Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cc1ccc(S(=O)(=O)N2CCOCC2)cc1.Cc1ccc(S(=O)(=O)NC(C)CO)cc1.Cc1ccc(S(=O)(=O)NC2CCCC2)cc1.Cc1ccc(S(=O)(=O)NCC(C)O)cc1.Cc1cccc(C(=O)O)c1.Cc1cccc(CO)c1.Cc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is IWSMZFSNOHGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H17NO2S.C11H15NO3S.3C10H15NO3S.C10H14O2S.C8H9F.C8H11NO2S.2C8H8O2.C8H10O.C7H7Cl.2C7H9NO/c1-10-5-7-12(8-6-10)16(14,15)13-9-3-4-11(13)2;1-11-5-7-12(8-6-11)16(14,15)13-9-3-2-4-10-13;1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11;1-10-2-4-11(5-3-10)16(13,14)12-6-8-15-9-7-12;1-9-3-5-10(6-4-9)15(13,14)11(2)7-8-12;1-8-3-5-10(6-4-8)15(13,14)11-9(2)7-12;1-8-3-5-10(6-4-8)15(13,14)11-7-9(2)12;1-9-3-5-10(6-4-9)7-8-13(2,11)12;1-6-3-4-8(9)7(2)5-6;1-7-3-5-8(6-4-7)12(10,11)9-2;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-6-3-2-4-7(8)5-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2/h5-8,11H,3-4,9H2,1-2H3;5-8H,2-4,9-10H2,1H3;6-9,11,13H,2-5H2,1H3;2-5H,6-9H2,1H3;3-6,12H,7-8H2,1-2H3;2*3-6,9,11-12H,7H2,1-2H3;3-6H,7-8H2,1-2H3;3-5H,1-2H3;3-6,9H,1-2H3;2*2-5H,1H3,(H,9,10);2-5,9H,6H2,1H3;2-5H,1H3;2*3-5H,1-2H3.
What are the key properties of 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine?
1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 2922.29 g/mol, XLogP of 24.73, 31 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;N-cyclopentyl-4-methylbenzenesulfonamide;N,4-dimethylbenzenesulfonamide;1-fluoro-2,4-dimethylbenzene;N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide;N-(1-hydroxypropan-2-yl)-4-methylbenzenesulfonamide;N-(2-hydroxypropyl)-4-methylbenzenesulfonamide;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;3-methylbenzoic acid;4-methylbenzoic acid;2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine;1-methyl-4-(2-methylsulfonylethyl)benzene;(3-methylphenyl)methanol;4-(4-methylphenyl)sulfonylmorpholine;1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 158828307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).