N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide

C19H23ClN2O3S — CID 109061586

IUPACN-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyNCXBTKVAQJHCOS-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.40
Rot. Bonds8

About N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide

N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide (PubChem CID 109061586) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
PubChem CID109061586
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyNCXBTKVAQJHCOS-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-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide (CID 109061586) is N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
The InChIKey is NCXBTKVAQJHCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-13-22(14-4-2)26(24,25)16-11-9-15(10-12-16)19(23)21-18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide?
N-(2-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-(2-chlorophenyl)-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 109061586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).