4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide

C13H11ClFNO2S — CID 126670986

IUPAC4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2cc(S(N)(=O)=O)ccc2Cl)c1F
InChIInChI=1S/C13H11ClFNO2S/c1-8-3-2-4-10(13(8)15)11-7-9(19(16,17)18)5-6-12(11)14/h2-7H,1H3,(H2,16,17,18)
InChIKeyMXZXIBWAZSUBPS-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.10
Rot. Bonds2

About 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide

4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide (PubChem CID 126670986) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide
PubChem CID126670986
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC Name4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2cc(S(N)(=O)=O)ccc2Cl)c1F
InChIInChI=1S/C13H11ClFNO2S/c1-8-3-2-4-10(13(8)15)11-7-9(19(16,17)18)5-6-12(11)14/h2-7H,1H3,(H2,16,17,18)
InChIKeyMXZXIBWAZSUBPS-UHFFFAOYSA-N
XLogP3.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(4-Chloro-3-methylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10810604
4-[2-(4-Chloro-3-methylphenyl)-3,4-difluorophenyl]benzenesulfonamide
CID 44394134
2-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 137645907
4-Chloro-3-(trifluoromethyl)benzenesulfonamide
CID 8317944
4-Chloro-3-methylbenzenesulfonamide
CID 226555
4-[4-(4-Chloro-3-methylphenyl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]-2-fluorobenzenesulfonamide
CID 18183321
4-chloro-N-methoxy-3-(trifluoromethyl)benzenesulfonamide
CID 18509307
4-[2-(4-Chloro-3-methylphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746345
4-[2-(4-Chloro-3-methylphenyl)cyclopenten-1-yl]-2,6-difluorobenzenesulfonamide
CID 22746474
4-[4-(4-Chloro-3-methylphenyl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]-2,6-difluorobenzenesulfonamide
CID 22746688
4-[2-[4-Chloro-3-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917386
4-[2-(2-Chloro-4-fluorophenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide (CID 126670986) is 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide is Cc1cccc(-c2cc(S(N)(=O)=O)ccc2Cl)c1F.
What is the InChIKey of 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide?
The InChIKey is MXZXIBWAZSUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c1-8-3-2-4-10(13(8)15)11-7-9(19(16,17)18)5-6-12(11)14/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide?
4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-fluoro-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 126670986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).