4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide

C13H18BrClN2O3S — CID 65387965

IUPAC4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-8(2)7-17(3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyBPPYSLAWFUNKOW-UHFFFAOYSA-N
MW397.72 g/mol
LogP2.87
Rot. Bonds5

About 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide

4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide (PubChem CID 65387965) has the molecular formula C13H18BrClN2O3S and a molecular weight of 397.72 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
PubChem CID65387965
Molecular FormulaC13H18BrClN2O3S
Molecular Weight397.72 g/mol
Exact Mass395.99
IUPAC Name4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
SMILESCCC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl
InChIInChI=1S/C13H18BrClN2O3S/c1-4-8(2)7-17(3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyBPPYSLAWFUNKOW-UHFFFAOYSA-N
XLogP2.87
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
4-bromo-2-chloro-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388652
N,5-dimethyl-N-(2-methylbutyl)-2-sulfamoylbenzamide
CID 65454692
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
propyl 4-bromo-2-chloro-5-sulfamoylbenzoate
CID 65380802
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-bromo-4-chloro-5-(2-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65396451

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide (CID 65387965) is 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide is CCC(C)CN(C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
The InChIKey is BPPYSLAWFUNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O3S/c1-4-8(2)7-17(3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide?
4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide has a molecular weight of 397.72 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).