3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide

C13H18Cl2N2O3S — CID 103465720

IUPAC3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(15)10(6-8)21(16,19)20/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyGSZDFZSCQUCPEL-UHFFFAOYSA-N
MW353.27 g/mol
LogP2.81
Rot. Bonds5

About 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide

3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide (PubChem CID 103465720) has the molecular formula C13H18Cl2N2O3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
PubChem CID103465720
Molecular FormulaC13H18Cl2N2O3S
Molecular Weight353.27 g/mol
Exact Mass352.04
IUPAC Name3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H18Cl2N2O3S/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(15)10(6-8)21(16,19)20/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyGSZDFZSCQUCPEL-UHFFFAOYSA-N
XLogP2.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374285
3,4-dichloro-N-(1-methylcyclopropyl)-5-sulfamoylbenzamide
CID 113486130
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
4-chloro-N-(2-methoxy-2-methylpropyl)-3-methyl-5-sulfamoylbenzamide
CID 104766737
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
4-amino-N-(2,2-dimethylbutyl)-3,5-difluorobenzamide
CID 103464640
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide (CID 103465720) is 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide is CCC(C)(C)CNC(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The InChIKey is GSZDFZSCQUCPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S/c1-4-13(2,3)7-17-12(18)8-5-9(14)11(15)10(6-8)21(16,19)20/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide has a molecular weight of 353.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 103465720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).