3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide

C14H10ClFN2O2S — CID 115588749

IUPAC3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c15-13-7-12(6-5-10(13)8-17)21(19,20)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2
InChIKeyCJBPQTNBYYDQSE-UHFFFAOYSA-N
MW324.76 g/mol
LogP2.83
Rot. Bonds4

About 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide

3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 115588749) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
PubChem CID115588749
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1Cl
InChIInChI=1S/C14H10ClFN2O2S/c15-13-7-12(6-5-10(13)8-17)21(19,20)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2
InChIKeyCJBPQTNBYYDQSE-UHFFFAOYSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55904626
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409
3-chloro-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-fluorobenzenesulfonamide
CID 8813776
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3843570
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-4-cyanobenzenesulfonamide
CID 115598090

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide (CID 115588749) is 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is CJBPQTNBYYDQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c15-13-7-12(6-5-10(13)8-17)21(19,20)18-9-11-3-1-2-4-14(11)16/h1-7,18H,9H2.
What are the key properties of 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide?
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 324.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 115588749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).