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

C13H19ClN2O4S — CID 104766737

IUPAC4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-8-5-9(6-10(11(8)14)21(15,18)19)12(17)16-7-13(2,3)20-4/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyHIHFWEHBIGUVOH-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.45
Rot. Bonds5

About 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide

4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide (PubChem CID 104766737) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
PubChem CID104766737
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
SMILESCOC(C)(C)CNC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H19ClN2O4S/c1-8-5-9(6-10(11(8)14)21(15,18)19)12(17)16-7-13(2,3)20-4/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyHIHFWEHBIGUVOH-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

4-fluoro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766765
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
3-amino-5-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 113449800
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
4-chloro-2-fluoro-N-(2-methoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 104766743
4-amino-3,5-difluoro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104765666
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide (CID 104766737) is 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide is COC(C)(C)CNC(=O)c1cc(C)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide?
The InChIKey is HIHFWEHBIGUVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-8-5-9(6-10(11(8)14)21(15,18)19)12(17)16-7-13(2,3)20-4/h5-6H,7H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide?
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-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 4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 104766737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).