3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide

C13H19ClN2O4S — CID 65382617

IUPAC3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
SMILESCCCC(COC)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-4-11(8-20-2)16-13(17)9-5-10(14)7-12(6-9)21(15,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyKDMXCDMDWSHIOY-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.53
Rot. Bonds7

About 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide

3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65382617) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
PubChem CID65382617
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide
SMILESCCCC(COC)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-3-4-11(8-20-2)16-13(17)9-5-10(14)7-12(6-9)21(15,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyKDMXCDMDWSHIOY-UHFFFAOYSA-N
XLogP1.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide 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-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
3-chloro-4-iodo-N-(1-methoxypentan-2-yl)benzamide
CID 103222118
3-chloro-5-(1-methoxypropan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368353
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
2-chloro-3-fluoro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 81454215
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
3-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 103850791
3-chloro-N-(4-chloro-1-methoxybutan-2-yl)-5-nitrobenzamide
CID 106154909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide (CID 65382617) is 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide is CCCC(COC)NC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is KDMXCDMDWSHIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-4-11(8-20-2)16-13(17)9-5-10(14)7-12(6-9)21(15,18)19/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide?
3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methoxypentan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65382617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).