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N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide

C19H22ClF2NO2S — CID 155932449

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)(C)F)cc1
InChIInChI=1S/C19H22ClF2NO2S/c1-14-4-10-17(11-5-14)26(24,25)23(13-18(21)19(2,3)22)12-15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3
InChIKeyZUGJRVYGIYNVEK-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.93
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide

N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide (PubChem CID 155932449) has the molecular formula C19H22ClF2NO2S and a molecular weight of 401.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide
PubChem CID155932449
Molecular FormulaC19H22ClF2NO2S
Molecular Weight401.91 g/mol
Exact Mass401.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)(C)F)cc1
InChIInChI=1S/C19H22ClF2NO2S/c1-14-4-10-17(11-5-14)26(24,25)23(13-18(21)19(2,3)22)12-15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3
InChIKeyZUGJRVYGIYNVEK-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide (CID 155932449) is N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)(C)F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide?
The InChIKey is ZUGJRVYGIYNVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF2NO2S/c1-14-4-10-17(11-5-14)26(24,25)23(13-18(21)19(2,3)22)12-15-6-8-16(20)9-7-15/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide has a molecular weight of 401.91 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2,3-difluoro-3-methylbutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 155932449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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