4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide

C19H21ClN2O3S — CID 32736718

IUPAC4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC)ccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-3-12-21-19(23)15-10-11-17(20)18(14-15)26(24,25)22(13-4-2)16-8-6-5-7-9-16/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyDLVORKZUMKWOMJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.86
Rot. Bonds8

About 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide

4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide (PubChem CID 32736718) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
PubChem CID32736718
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC)ccc1Cl
InChIInChI=1S/C19H21ClN2O3S/c1-3-12-21-19(23)15-10-11-17(20)18(14-15)26(24,25)22(13-4-2)16-8-6-5-7-9-16/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)
InChIKeyDLVORKZUMKWOMJ-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16552544
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655382
4-chloro-3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 4262139
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-chloro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31008296
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 52754440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide (CID 32736718) is 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCC)ccc1Cl.
What is the InChIKey of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is DLVORKZUMKWOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-12-21-19(23)15-10-11-17(20)18(14-15)26(24,25)22(13-4-2)16-8-6-5-7-9-16/h4-11,14H,2-3,12-13H2,1H3,(H,21,23).
What are the key properties of 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide?
4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 32736718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).