5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide

C13H19ClN2O4S — CID 104766748

IUPAC5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19ClN2O4S/c1-8-10(12(17)16-7-13(2,3)20-4)5-9(14)6-11(8)21(15,18)19/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDRCLDROXGYZJSX-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.45
Rot. Bonds5

About 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide

5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide (PubChem CID 104766748) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
PubChem CID104766748
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19ClN2O4S/c1-8-10(12(17)16-7-13(2,3)20-4)5-9(14)6-11(8)21(15,18)19/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyDRCLDROXGYZJSX-UHFFFAOYSA-N
XLogP1.45
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
5-chloro-N-(2,3-dimethylbutyl)-2-methyl-3-sulfamoylbenzamide
CID 82879168
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
5-chloro-N-cyclopropyl-2-methyl-3-sulfamoylbenzamide
CID 82891438
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
5-chloro-2-fluoro-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373130
4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide (CID 104766748) is 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide is COC(C)(C)CNC(=O)c1cc(Cl)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide?
The InChIKey is DRCLDROXGYZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-8-10(12(17)16-7-13(2,3)20-4)5-9(14)6-11(8)21(15,18)19/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide?
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide has a molecular weight of 334.83 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 104766748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).