N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide

C17H16ClN3O3S — CID 32684648

IUPACN-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O3S/c18-15-6-2-13(3-7-15)12-20-17(22)14-4-8-16(9-5-14)25(23,24)21-11-1-10-19/h2-9,21H,1,11-12H2,(H,20,22)
InChIKeyBXWHNZROLPVUHY-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.46
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide

N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide (PubChem CID 32684648) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
PubChem CID32684648
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide
SMILESN#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClN3O3S/c18-15-6-2-13(3-7-15)12-20-17(22)14-4-8-16(9-5-14)25(23,24)21-11-1-10-19/h2-9,21H,1,11-12H2,(H,20,22)
InChIKeyBXWHNZROLPVUHY-UHFFFAOYSA-N
XLogP2.46
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
4-(2-cyanoethylsulfamoyl)-N-ethylbenzamide
CID 47112556
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-(2-cyanoethylsulfamoyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46465715
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-(2-cyanoethylsulfamoyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8742825
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902
4-(2-cyanoethylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 34298929
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide (CID 32684648) is N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide is N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide?
The InChIKey is BXWHNZROLPVUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-15-6-2-13(3-7-15)12-20-17(22)14-4-8-16(9-5-14)25(23,24)21-11-1-10-19/h2-9,21H,1,11-12H2,(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide?
N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide has a molecular weight of 377.85 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-(2-cyanoethylsulfamoyl)benzamide is sourced from PubChem (CID 32684648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).