3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide

C13H18BrClN2O3S — CID 103465788

IUPAC3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-13(2,3)7-17-12(18)9-5-8(21(16,19)20)6-10(14)11(9)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyTUVKJICCLYFAKZ-UHFFFAOYSA-N
MW397.72 g/mol
LogP2.92
Rot. Bonds5

About 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide

3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide (PubChem CID 103465788) has the molecular formula C13H18BrClN2O3S and a molecular weight of 397.72 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
PubChem CID103465788
Molecular FormulaC13H18BrClN2O3S
Molecular Weight397.72 g/mol
Exact Mass395.99
IUPAC Name3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-13(2,3)7-17-12(18)9-5-8(21(16,19)20)6-10(14)11(9)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyTUVKJICCLYFAKZ-UHFFFAOYSA-N
XLogP2.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
2-chloro-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81453681
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
3-(2,2-dimethylbutylcarbamoyl)-4,5-difluorobenzenesulfonyl chloride
CID 103465632
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-chloro-N-(2-ethoxy-2-methylpropyl)-5-sulfamoylbenzamide
CID 114944541
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134
3-(2,2-dimethylbutylcarbamoyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 103465557
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide (CID 103465788) is 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide is CCC(C)(C)CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
The InChIKey is TUVKJICCLYFAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S/c1-4-13(2,3)7-17-12(18)9-5-8(21(16,19)20)6-10(14)11(9)15/h5-6H,4,7H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide?
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide has a molecular weight of 397.72 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 103465788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).