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

Name: N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₀ClF₂NO₂S — CID 155932451

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
PubChem CID	155932451
Molecular Formula	C₁₈H₂₀ClF₂NO₂S
Molecular Weight	387.88 g/mol
Exact Mass	387.09
IUPAC Name	N-[(4-chlorophenyl)methyl]-N-(2,3-difluorobutyl)-4-methylbenzenesulfonamide
SMILES	Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC(F)C(C)F)cc1
InChI	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
InChIKey	LARDDVWEQGXPCU-UHFFFAOYSA-N
XLogP	4.54
TPSA	37.38 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	7
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.88
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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).

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Sources

PubChem CID 155932451 — identifiers, structure, computed properties (public domain)

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