N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide

C96H138Cl3F16N7O15S7 — CID 160980247

IUPACN-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c1C(F)F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(OC(F)(F)F)c1F.Cc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H25NO2S.C14H19ClF3NO2S.C14H20ClF2NO2S.C14H19F4NO3S.C13H18ClF2NO2S.C13H18F3NO2S.C13H19F2NO2S/c1-10(2)13-8-9-14(12(4)11(13)3)19(17,18)16-15(5,6)7;1-8(2)9-6-7-10(11(12(9)15)14(16,17)18)22(20,21)19-13(3,4)5;1-8(2)9-6-7-10(12(15)11(9)13(16)17)21(19,20)18-14(3,4)5;1-8(2)9-6-7-10(23(20,21)19-13(3,4)5)12(11(9)15)22-14(16,17)18;2*1-7(2)9-5-6-10(12(14)11(9)13(15)16)20(18,19)17-8(3)4;1-8(2)11-6-5-10(7-12(11)13(14)15)19(17,18)16-9(3)4/h8-10,16H,1-7H3;6-8,19H,1-5H3;6-8,13,18H,1-5H3;6-8,19H,1-5H3;2*5-8,13,17H,1-4H3;5-9,13,16H,1-4H3
InChIKeySZKLTGZXXXSTPZ-UHFFFAOYSA-N
MW2264.99 g/mol
LogP27.56
Rot. Bonds29

About N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide

N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide (PubChem CID 160980247) has the molecular formula C96H138Cl3F16N7O15S7 and a molecular weight of 2264.99 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide
PubChem CID160980247
Molecular FormulaC96H138Cl3F16N7O15S7
Molecular Weight2264.99 g/mol
Exact Mass2261.71
IUPAC NameN-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c1C(F)F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(OC(F)(F)F)c1F.Cc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1C
InChIInChI=1S/C15H25NO2S.C14H19ClF3NO2S.C14H20ClF2NO2S.C14H19F4NO3S.C13H18ClF2NO2S.C13H18F3NO2S.C13H19F2NO2S/c1-10(2)13-8-9-14(12(4)11(13)3)19(17,18)16-15(5,6)7;1-8(2)9-6-7-10(11(12(9)15)14(16,17)18)22(20,21)19-13(3,4)5;1-8(2)9-6-7-10(12(15)11(9)13(16)17)21(19,20)18-14(3,4)5;1-8(2)9-6-7-10(23(20,21)19-13(3,4)5)12(11(9)15)22-14(16,17)18;2*1-7(2)9-5-6-10(12(14)11(9)13(15)16)20(18,19)17-8(3)4;1-8(2)11-6-5-10(7-12(11)13(14)15)19(17,18)16-9(3)4/h8-10,16H,1-7H3;6-8,19H,1-5H3;6-8,13,18H,1-5H3;6-8,19H,1-5H3;2*5-8,13,17H,1-4H3;5-9,13,16H,1-4H3
InChIKeySZKLTGZXXXSTPZ-UHFFFAOYSA-N
XLogP27.56
TPSA332.42 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.99
LogP ≤ 527.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide with MolForge

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Related Compounds

N-tert-butyl-2-chloro-3-(difluoromethoxy)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-3-(difluoromethoxy)-2-methyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(difluoromethyl)-3-fluoro-4-propan-2-ylbenzenesulfonamide;bis(N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide);N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;N-tert-butyl-3-methyl-4-propan-2-ylbenzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide;3-methyl-N,4-di(propan-2-yl)benzenesulfonamide;3-methyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 158324572
3-(difluoromethyl)-2-fluoro-4-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 138659120
N-tert-butyl-2-chloro-3-methyl-4-propan-2-ylbenzenesulfonamide
CID 118185549
2-chloro-4-methyl-3-(trifluoromethoxy)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188481
N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine
CID 158285090
3-chloro-2,4-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
CID 118188676
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
CID 19782295
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-methylbenzenesulfonamide
CID 118188646

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide (CID 160980247) is N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1Cl.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(F)F)c1F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c1C(F)F.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(OC(F)(F)F)c1F.Cc1c(C(C)C)ccc(S(=O)(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide?
The InChIKey is SZKLTGZXXXSTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S.C14H19ClF3NO2S.C14H20ClF2NO2S.C14H19F4NO3S.C13H18ClF2NO2S.C13H18F3NO2S.C13H19F2NO2S/c1-10(2)13-8-9-14(12(4)11(13)3)19(17,18)16-15(5,6)7;1-8(2)9-6-7-10(11(12(9)15)14(16,17)18)22(20,21)19-13(3,4)5;1-8(2)9-6-7-10(12(15)11(9)13(16)17)21(19,20)18-14(3,4)5;1-8(2)9-6-7-10(23(20,21)19-13(3,4)5)12(11(9)15)22-14(16,17)18;2*1-7(2)9-5-6-10(12(14)11(9)13(15)16)20(18,19)17-8(3)4;1-8(2)11-6-5-10(7-12(11)13(14)15)19(17,18)16-9(3)4/h8-10,16H,1-7H3;6-8,19H,1-5H3;6-8,13,18H,1-5H3;6-8,19H,1-5H3;2*5-8,13,17H,1-4H3;5-9,13,16H,1-4H3.
What are the key properties of N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide?
N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide has a molecular weight of 2264.99 g/mol, XLogP of 27.56, 29 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-3-(difluoromethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-chloro-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N-tert-butyl-2,3-dimethyl-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-3-fluoro-4-propan-2-yl-2-(trifluoromethoxy)benzenesulfonamide;2-chloro-3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(difluoromethyl)-2-fluoro-N,4-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 160980247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).