N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide

C14H12ClF2NO2S — CID 53497721

IUPACN-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)12-7-5-10(6-8-12)14(16)17/h1-8,14,18H,9H2
InChIKeyQRGUGYMPBONAJK-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.76
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide (PubChem CID 53497721) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
PubChem CID53497721
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)12-7-5-10(6-8-12)14(16)17/h1-8,14,18H,9H2
InChIKeyQRGUGYMPBONAJK-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide 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-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide (CID 53497721) is N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(C(F)F)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide?
The InChIKey is QRGUGYMPBONAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c15-13-4-2-1-3-11(13)9-18-21(19,20)12-7-5-10(6-8-12)14(16)17/h1-8,14,18H,9H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(difluoromethyl)benzenesulfonamide is sourced from PubChem (CID 53497721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).