3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

C24H16N2O4S2 — CID 122194302

IUPAC3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)c4cccc(O)c4)s3)cc2)c1
InChIInChI=1S/C24H16N2O4S2/c25-15-16-3-1-6-21(13-16)32(29,30)26-19-9-7-17(8-10-19)22-11-12-23(31-22)24(28)18-4-2-5-20(27)14-18/h1-14,26-27H
InChIKeyRKFXMPGZOFJUTJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.02
Rot. Bonds6

About 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (PubChem CID 122194302) has the molecular formula C24H16N2O4S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
PubChem CID122194302
Molecular FormulaC24H16N2O4S2
Molecular Weight460.54 g/mol
Exact Mass460.06
IUPAC Name3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)c4cccc(O)c4)s3)cc2)c1
InChIInChI=1S/C24H16N2O4S2/c25-15-16-3-1-6-21(13-16)32(29,30)26-19-9-7-17(8-10-19)22-11-12-23(31-22)24(28)18-4-2-5-20(27)14-18/h1-14,26-27H
InChIKeyRKFXMPGZOFJUTJ-UHFFFAOYSA-N
XLogP5.02
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194315
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
4-cyano-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155519849
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
CID 56928978
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (CID 122194302) is 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(C(=O)c4cccc(O)c4)s3)cc2)c1.
What is the InChIKey of 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The InChIKey is RKFXMPGZOFJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4S2/c25-15-16-3-1-6-21(13-16)32(29,30)26-19-9-7-17(8-10-19)22-11-12-23(31-22)24(28)18-4-2-5-20(27)14-18/h1-14,26-27H.
What are the key properties of 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide has a molecular weight of 460.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 122194302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).