4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

C14H13ClFNO2S — CID 18131225

IUPAC4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H13ClFNO2S/c1-10-8-11(2-7-14(10)16)9-17-20(18,19)13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3
InChIKeyHNGJSBJCTQLVGY-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 18131225) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
PubChem CID18131225
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H13ClFNO2S/c1-10-8-11(2-7-14(10)16)9-17-20(18,19)13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3
InChIKeyHNGJSBJCTQLVGY-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779741
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (CID 18131225) is 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is HNGJSBJCTQLVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-10-8-11(2-7-14(10)16)9-17-20(18,19)13-5-3-12(15)4-6-13/h2-8,17H,9H2,1H3.
What are the key properties of 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 18131225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).