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

C16H13Cl2FN2O3S — CID 9165964

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O3S/c1-2-7-20-25(23,24)15-8-10(3-5-12(15)17)16(22)21-11-4-6-14(19)13(18)9-11/h2-6,8-9,20H,1,7H2,(H,21,22)
InChIKeyOBIDBVROVDBUIR-UHFFFAOYSA-N
MW403.26 g/mol
LogP3.85
Rot. Bonds6

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

4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9165964) has the molecular formula C16H13Cl2FN2O3S and a molecular weight of 403.26 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9165964
Molecular FormulaC16H13Cl2FN2O3S
Molecular Weight403.26 g/mol
Exact Mass402.00
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H13Cl2FN2O3S/c1-2-7-20-25(23,24)15-8-10(3-5-12(15)17)16(22)21-11-4-6-14(19)13(18)9-11/h2-6,8-9,20H,1,7H2,(H,21,22)
InChIKeyOBIDBVROVDBUIR-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 53.85
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

N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
CID 9441812
4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9495516
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-fluoro-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 49422917
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(3,4-difluorophenyl)benzamide
CID 21236808
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
N-(4-chlorophenyl)-2-fluoro-5-(prop-2-enylsulfamoyl)benzamide
CID 4085582
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 9165964) is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is OBIDBVROVDBUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O3S/c1-2-7-20-25(23,24)15-8-10(3-5-12(15)17)16(22)21-11-4-6-14(19)13(18)9-11/h2-6,8-9,20H,1,7H2,(H,21,22).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide?
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 403.26 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9165964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).