N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide

C14H10F2N2O2S — CID 62317386

IUPACN-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H10F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,1H3
InChIKeyBIVIVHJRABOJCZ-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.95
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide

N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 62317386) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID62317386
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC NameN-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H10F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,1H3
InChIKeyBIVIVHJRABOJCZ-UHFFFAOYSA-N
XLogP2.95
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
N-[4-(2-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989897
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 62315894
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
3-[(3-cyano-4-fluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71880894
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide (CID 62317386) is N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is BIVIVHJRABOJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-9-6-11(15)2-5-14(9)21(19,20)18-12-3-4-13(16)10(7-12)8-17/h2-7,18H,1H3.
What are the key properties of N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 62317386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).