4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide

C16H15ClN2O3S — CID 94622380

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-23(21,22)15-9-5-13(17)6-10-15/h2-10,19H,1,11H2,(H,18,20)
InChIKeyDVFJELJHJLCJPP-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.06
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide

4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 94622380) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID94622380
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClN2O3S/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-23(21,22)15-9-5-13(17)6-10-15/h2-10,19H,1,11H2,(H,18,20)
InChIKeyDVFJELJHJLCJPP-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
4-[(3,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058545
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058526
4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531298
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 94622380) is 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is DVFJELJHJLCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-23(21,22)15-9-5-13(17)6-10-15/h2-10,19H,1,11H2,(H,18,20).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 350.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 94622380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).