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

C18H21ClN2O3S — CID 109061886

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-2-11-21-25(23,24)17-5-3-4-15(13-17)18(22)20-12-10-14-6-8-16(19)9-7-14/h3-9,13,21H,2,10-12H2,1H3,(H,20,22)
InChIKeyRZSSKAWPLUPANR-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide (PubChem CID 109061886) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
PubChem CID109061886
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3S/c1-2-11-21-25(23,24)17-5-3-4-15(13-17)18(22)20-12-10-14-6-8-16(19)9-7-14/h3-9,13,21H,2,10-12H2,1H3,(H,20,22)
InChIKeyRZSSKAWPLUPANR-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
3-(propylsulfamoyl)benzoic acid
CID 2442822
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 27646633
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749716

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide (CID 109061886) is N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide?
The InChIKey is RZSSKAWPLUPANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-2-11-21-25(23,24)17-5-3-4-15(13-17)18(22)20-12-10-14-6-8-16(19)9-7-14/h3-9,13,21H,2,10-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide has a molecular weight of 380.90 g/mol, XLogP of 3.00, 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-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).