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

C18H20ClF2NO2S — CID 155932451

IUPACN-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)F)cc1
InChIInChI=1S/C18H20ClF2NO2S/c1-13-3-9-17(10-4-13)25(23,24)22(12-18(21)14(2)20)11-15-5-7-16(19)8-6-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyLARDDVWEQGXPCU-UHFFFAOYSA-N
MW387.88 g/mol
LogP4.54
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide (PubChem CID 155932451) has the molecular formula C18H20ClF2NO2S and a molecular weight of 387.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
PubChem CID155932451
Molecular FormulaC18H20ClF2NO2S
Molecular Weight387.88 g/mol
Exact Mass387.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)F)cc1
InChIInChI=1S/C18H20ClF2NO2S/c1-13-3-9-17(10-4-13)25(23,24)22(12-18(21)14(2)20)11-15-5-7-16(19)8-6-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyLARDDVWEQGXPCU-UHFFFAOYSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide (CID 155932451) is N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)F)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide?
The InChIKey is LARDDVWEQGXPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2NO2S/c1-13-3-9-17(10-4-13)25(23,24)22(12-18(21)14(2)20)11-15-5-7-16(19)8-6-15/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide has a molecular weight of 387.88 g/mol, XLogP of 4.54, 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-difluorobutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 155932451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).