N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide

C18H21ClN2O4S — CID 4983601

IUPACN-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-3-4-10-20-26(23,24)15-8-9-17(25-2)16(12-15)21-18(22)13-6-5-7-14(19)11-13/h5-9,11-12,20H,3-4,10H2,1-2H3,(H,21,22)
InChIKeyOCEDGLWHUCFHFU-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.68
Rot. Bonds8

About N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide

N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide (PubChem CID 4983601) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
PubChem CID4983601
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4S/c1-3-4-10-20-26(23,24)15-8-9-17(25-2)16(12-15)21-18(22)13-6-5-7-14(19)11-13/h5-9,11-12,20H,3-4,10H2,1-2H3,(H,21,22)
InChIKeyOCEDGLWHUCFHFU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide 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

3-(butylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 17226790
N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
CID 3995108
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-(4-chloro-2-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065381
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-(5-chloro-2-ethoxyphenyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55981731
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide?
The IUPAC name of N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide (CID 4983601) is N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide?
The canonical SMILES for N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide is CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide?
The InChIKey is OCEDGLWHUCFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-3-4-10-20-26(23,24)15-8-9-17(25-2)16(12-15)21-18(22)13-6-5-7-14(19)11-13/h5-9,11-12,20H,3-4,10H2,1-2H3,(H,21,22).
What are the key properties of N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide?
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide 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-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide is sourced from PubChem (CID 4983601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).