2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide

C17H14ClN3O3S — CID 87026587

IUPAC2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C17H14ClN3O3S/c18-15-9-13(8-5-11(15)10-19)25(23,24)21-16-4-2-1-3-14(16)17(22)20-12-6-7-12/h1-5,8-9,12,21H,6-7H2,(H,20,22)
InChIKeyWUFYKKZDMRLKFA-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.90
Rot. Bonds5

About 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide

2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide (PubChem CID 87026587) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
PubChem CID87026587
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl
InChIInChI=1S/C17H14ClN3O3S/c18-15-9-13(8-5-11(15)10-19)25(23,24)21-16-4-2-1-3-14(16)17(22)20-12-6-7-12/h1-5,8-9,12,21H,6-7H2,(H,20,22)
InChIKeyWUFYKKZDMRLKFA-UHFFFAOYSA-N
XLogP2.90
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
4-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214488
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide (CID 87026587) is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide?
The InChIKey is WUFYKKZDMRLKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-15-9-13(8-5-11(15)10-19)25(23,24)21-16-4-2-1-3-14(16)17(22)20-12-6-7-12/h1-5,8-9,12,21H,6-7H2,(H,20,22).
What are the key properties of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide?
2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide has a molecular weight of 375.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 87026587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).