N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide

C19H23ClN2O3S — CID 109062685

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)13-22-26(24,25)18-5-3-4-16(12-18)19(23)21-11-10-15-6-8-17(20)9-7-15/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeySMALPSRHOXMZAJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.25
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide (PubChem CID 109062685) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
PubChem CID109062685
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)13-22-26(24,25)18-5-3-4-16(12-18)19(23)21-11-10-15-6-8-17(20)9-7-15/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeySMALPSRHOXMZAJ-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
3-[(4-fluorophenyl)methylsulfamoyl]-N-(2-methylpropyl)benzamide
CID 109062787
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
3-(2-phenylethylcarbamoyl)benzenesulfonyl chloride
CID 110823487
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide (CID 109062685) is N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is SMALPSRHOXMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(2)13-22-26(24,25)18-5-3-4-16(12-18)19(23)21-11-10-15-6-8-17(20)9-7-15/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 109062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).