4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide

C17H17ClN2O4S — CID 9495516

IUPAC4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2O)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-3-8-19-25(23,24)16-10-12(5-6-13(16)18)17(22)20-14-7-4-11(2)9-15(14)21/h3-7,9-10,19,21H,1,8H2,2H3,(H,20,22)
InChIKeyFBCOWYLZLLUKBD-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.07
Rot. Bonds6

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

4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 9495516) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID9495516
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2O)ccc1Cl
InChIInChI=1S/C17H17ClN2O4S/c1-3-8-19-25(23,24)16-10-12(5-6-13(16)18)17(22)20-14-7-4-11(2)9-15(14)21/h3-7,9-10,19,21H,1,8H2,2H3,(H,20,22)
InChIKeyFBCOWYLZLLUKBD-UHFFFAOYSA-N
XLogP3.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,4-dimethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9416108
N-(4-carbamoylphenyl)-4-chloro-3-(prop-2-enylsulfamoyl)benzamide
CID 9441812
4-chloro-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 35893373
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
4-chloro-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(2,5-dimethylphenyl)benzamide
CID 2448420
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 9495516) is 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2O)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is FBCOWYLZLLUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-3-8-19-25(23,24)16-10-12(5-6-13(16)18)17(22)20-14-7-4-11(2)9-15(14)21/h3-7,9-10,19,21H,1,8H2,2H3,(H,20,22).
What are the key properties of 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide?
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 380.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-4-methylphenyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 9495516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).