3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide

C13H19ClN2O3S — CID 65389265

IUPAC3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,3)8-16(4)12(17)9-5-10(14)7-11(6-9)20(15,18)19/h5-7H,8H2,1-4H3,(H2,15,18,19)
InChIKeyJZQVSCPBYWJTPS-UHFFFAOYSA-N
MW318.83 g/mol
LogP2.11
Rot. Bonds3

About 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide

3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide (PubChem CID 65389265) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
PubChem CID65389265
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O3S/c1-13(2,3)8-16(4)12(17)9-5-10(14)7-11(6-9)20(15,18)19/h5-7H,8H2,1-4H3,(H2,15,18,19)
InChIKeyJZQVSCPBYWJTPS-UHFFFAOYSA-N
XLogP2.11
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
N-(2,2-dimethylpropyl)-1-ethyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612280
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
3-chloro-N-(4-methylpentyl)-5-sulfamoylbenzamide
CID 65386747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide (CID 65389265) is 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide is CN(CC(C)(C)C)C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide?
The InChIKey is JZQVSCPBYWJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-13(2,3)8-16(4)12(17)9-5-10(14)7-11(6-9)20(15,18)19/h5-7H,8H2,1-4H3,(H2,15,18,19).
What are the key properties of 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide?
3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide has a molecular weight of 318.83 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65389265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).