3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide

C13H17ClN2O4S — CID 65374560

IUPAC3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-8-11(14)5-9(6-12(8)21(15,18)19)13(17)16-7-10-3-2-4-20-10/h5-6,10H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWHEMOWLSMZSMRL-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.20
Rot. Bonds4

About 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide

3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide (PubChem CID 65374560) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
PubChem CID65374560
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
SMILESCc1c(Cl)cc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17ClN2O4S/c1-8-11(14)5-9(6-12(8)21(15,18)19)13(17)16-7-10-3-2-4-20-10/h5-6,10H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyWHEMOWLSMZSMRL-UHFFFAOYSA-N
XLogP1.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-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

oxolan-2-ylmethyl 3-chloro-4-methyl-5-sulfamoylbenzoate
CID 65379651
4-ethyl-N-(oxolan-2-ylmethyl)-3-sulfamoylbenzamide
CID 65374368
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
5-bromo-N-(oxolan-2-ylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65374946
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
4-methyl-N-(oxan-2-ylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 79819213
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide (CID 65374560) is 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide is Cc1c(Cl)cc(C(=O)NCC2CCCO2)cc1S(N)(=O)=O.
What is the InChIKey of 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
The InChIKey is WHEMOWLSMZSMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-8-11(14)5-9(6-12(8)21(15,18)19)13(17)16-7-10-3-2-4-20-10/h5-6,10H,2-4,7H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide?
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65374560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).