3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide

C13H10Cl2FNO2S — CID 26945724

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)11-5-6-13(16)12(15)7-11/h1-7,17H,8H2
InChIKeyIAKUMHZWAOVNRP-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.61
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide

3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 26945724) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID26945724
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)11-5-6-13(16)12(15)7-11/h1-7,17H,8H2
InChIKeyIAKUMHZWAOVNRP-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
3-chloro-4-fluoro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 51320337
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-N-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-4-fluorobenzenesulfonamide
CID 20963907
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide (CID 26945724) is 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is IAKUMHZWAOVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c14-10-3-1-9(2-4-10)8-17-20(18,19)11-5-6-13(16)12(15)7-11/h1-7,17H,8H2.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 26945724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).