N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide

C20H15FN2O2S — CID 90240074

IUPACN-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)ccc(F)c2C#N)cc1
InChIInChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-20-17(15-5-3-2-4-6-15)11-12-19(21)18(20)13-22/h2-12,23H,1H3
InChIKeyDPBQBUHHVDHSNV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.47
Rot. Bonds4

About N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide

N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide (PubChem CID 90240074) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide
PubChem CID90240074
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC NameN-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)ccc(F)c2C#N)cc1
InChIInChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-20-17(15-5-3-2-4-6-15)11-12-19(21)18(20)13-22/h2-12,23H,1H3
InChIKeyDPBQBUHHVDHSNV-UHFFFAOYSA-N
XLogP4.47
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide (CID 90240074) is N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)ccc(F)c2C#N)cc1.
What is the InChIKey of N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DPBQBUHHVDHSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-14-7-9-16(10-8-14)26(24,25)23-20-17(15-5-3-2-4-6-15)11-12-19(21)18(20)13-22/h2-12,23H,1H3.
What are the key properties of N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide?
N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 366.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluoro-6-phenylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 90240074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).