N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide

C17H16ClN3O4S — CID 9441812

IUPACN-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c1-2-9-20-26(24,25)15-10-12(5-8-14(15)18)17(23)21-13-6-3-11(4-7-13)16(19)22/h2-8,10,20H,1,9H2,(H2,19,22)(H,21,23)
InChIKeyZVKOJCHOEGEDJS-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.16
Rot. Bonds7

About N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide

N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9441812) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9441812
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC NameN-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c1-2-9-20-26(24,25)15-10-12(5-8-14(15)18)17(23)21-13-6-3-11(4-7-13)16(19)22/h2-8,10,20H,1,9H2,(H2,19,22)(H,21,23)
InChIKeyZVKOJCHOEGEDJS-UHFFFAOYSA-N
XLogP2.16
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9495516
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
4-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 35893373
4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30857214
5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-2-chloro-N-prop-2-enylbenzenesulfonamide
CID 9295319
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide (CID 9441812) is N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Cl.
What is the InChIKey of N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ZVKOJCHOEGEDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-2-9-20-26(24,25)15-10-12(5-8-14(15)18)17(23)21-13-6-3-11(4-7-13)16(19)22/h2-8,10,20H,1,9H2,(H2,19,22)(H,21,23).
What are the key properties of N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide?
N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 393.85 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9441812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).