4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C23H20ClN3O4S — CID 2237563

IUPAC4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O4S/c1-2-14-25-23(29)18-10-6-7-11-20(18)26-22(28)16-12-13-19(24)21(15-16)32(30,31)27-17-8-4-3-5-9-17/h2-13,15,27H,1,14H2,(H,25,29)(H,26,28)
InChIKeyKTNLHXBJXJVWQQ-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.31
Rot. Bonds8

About 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 2237563) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID2237563
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H20ClN3O4S/c1-2-14-25-23(29)18-10-6-7-11-20(18)26-22(28)16-12-13-19(24)21(15-16)32(30,31)27-17-8-4-3-5-9-17/h2-13,15,27H,1,14H2,(H,25,29)(H,26,28)
InChIKeyKTNLHXBJXJVWQQ-UHFFFAOYSA-N
XLogP4.31
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.31
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

Metolazone
CID 4170
Fenquizone
CID 68548
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(2-phenylphenyl)benzamide
CID 2228302
4-chloranyl-2-(cyclohexylamino)-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
CID 12698194
N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 12698199
4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide
CID 126508711
2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
4-chloro-2-(cyclohexylamino)-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126507467
4-chloro-2-(cyclohexylamino)-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126507592
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
2-(benzylamino)-4-chloro-N-(3-hydroxypropyl)-5-sulfamoylbenzamide
CID 126507913

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 2237563) is 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is KTNLHXBJXJVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-2-14-25-23(29)18-10-6-7-11-20(18)26-22(28)16-12-13-19(24)21(15-16)32(30,31)27-17-8-4-3-5-9-17/h2-13,15,27H,1,14H2,(H,25,29)(H,26,28).
What are the key properties of 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 469.95 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(phenylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2237563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).