4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide

C13H19ClN2O4S — CID 65381406

IUPAC4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCC(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C13H19ClN2O4S/c1-8(2)11(7-20-3)16-13(17)9-4-5-10(14)12(6-9)21(15,18)19/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyKPPHMLBHOIYWQS-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.39
Rot. Bonds6

About 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide

4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65381406) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
PubChem CID65381406
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCC(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C
InChIInChI=1S/C13H19ClN2O4S/c1-8(2)11(7-20-3)16-13(17)9-4-5-10(14)12(6-9)21(15,18)19/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyKPPHMLBHOIYWQS-UHFFFAOYSA-N
XLogP1.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-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

4-bromo-3-chloro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 81002884
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358
4-chloro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-sulfamoylbenzamide
CID 9262498
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
4-chloro-N-(1-methoxypropan-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18166551
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]propanoate
CID 60638166
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)-4-iodobenzamide
CID 114113915
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide (CID 65381406) is 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide is COCC(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(C)C.
What is the InChIKey of 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is KPPHMLBHOIYWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-8(2)11(7-20-3)16-13(17)9-4-5-10(14)12(6-9)21(15,18)19/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide?
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).