N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

C17H17ClN2O3S — CID 26692241

IUPACN-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21)
InChIKeyRZMCBKHWKFTGJH-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.73
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 26692241) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID26692241
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21)
InChIKeyRZMCBKHWKFTGJH-UHFFFAOYSA-N
XLogP2.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.73
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-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
2-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 2989337
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 26692241) is N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is RZMCBKHWKFTGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 364.85 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 26692241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).