N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide

C19H23ClN2O3S — CID 4654716

IUPACN-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-15(9-11-18)19(23)21-17-7-5-6-16(20)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyZFVVCDUGNZUROZ-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.40
Rot. Bonds8

About N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide

N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide (PubChem CID 4654716) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
PubChem CID4654716
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-15(9-11-18)19(23)21-17-7-5-6-16(20)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyZFVVCDUGNZUROZ-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide (CID 4654716) is N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The InChIKey is ZFVVCDUGNZUROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-12-22(13-4-2)26(24,25)18-10-8-15(9-11-18)19(23)21-17-7-5-6-16(20)14-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 4654716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).