4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide

C16H15N3O4S2 — CID 24602920

IUPAC4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-11-12-1-7-15(8-2-12)24(20,21)19-14-5-9-16(10-6-14)25(22,23)18-13-3-4-13/h1-2,5-10,13,18-19H,3-4H2
InChIKeyFLYXJIUYHJQRNZ-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.80
Rot. Bonds6

About 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide

4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 24602920) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID24602920
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C16H15N3O4S2/c17-11-12-1-7-15(8-2-12)24(20,21)19-14-5-9-16(10-6-14)25(22,23)18-13-3-4-13/h1-2,5-10,13,18-19H,3-4H2
InChIKeyFLYXJIUYHJQRNZ-UHFFFAOYSA-N
XLogP1.80
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 42998815
4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3856559
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide (CID 24602920) is 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is FLYXJIUYHJQRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c17-11-12-1-7-15(8-2-12)24(20,21)19-14-5-9-16(10-6-14)25(22,23)18-13-3-4-13/h1-2,5-10,13,18-19H,3-4H2.
What are the key properties of 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide?
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 377.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24602920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).