N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide

C18H21ClN2O4S — CID 87047072

IUPACN-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-11-25-17-10-7-14(19)12-16(17)21-18(22)13-5-8-15(9-6-13)26(23,24)20-4-2/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyLBGNKCZVDXHHTI-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.68
Rot. Bonds8

About N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide

N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide (PubChem CID 87047072) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
PubChem CID87047072
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-3-11-25-17-10-7-14(19)12-16(17)21-18(22)13-5-8-15(9-6-13)26(23,24)20-4-2/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22)
InChIKeyLBGNKCZVDXHHTI-UHFFFAOYSA-N
XLogP3.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
4-(2-methoxyethylsulfamoyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 55524220
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
CID 66462301
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659
N-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4793263
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 56501680
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide (CID 87047072) is N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide is CCCOc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)NCC)cc1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide?
The InChIKey is LBGNKCZVDXHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-11-25-17-10-7-14(19)12-16(17)21-18(22)13-5-8-15(9-6-13)26(23,24)20-4-2/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide?
N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 87047072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).