3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide

C12H14BrClN2O3S — CID 104538212

IUPAC3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCC1
InChIInChI=1S/C12H14BrClN2O3S/c1-16(7-3-2-4-7)12(17)9-5-8(20(15,18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3,(H2,15,18,19)
InChIKeyYCEZBDXJVJCWME-UHFFFAOYSA-N
MW381.68 g/mol
LogP2.37
Rot. Bonds3

About 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide

3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide (PubChem CID 104538212) has the molecular formula C12H14BrClN2O3S and a molecular weight of 381.68 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
PubChem CID104538212
Molecular FormulaC12H14BrClN2O3S
Molecular Weight381.68 g/mol
Exact Mass379.96
IUPAC Name3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCC1
InChIInChI=1S/C12H14BrClN2O3S/c1-16(7-3-2-4-7)12(17)9-5-8(20(15,18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3,(H2,15,18,19)
InChIKeyYCEZBDXJVJCWME-UHFFFAOYSA-N
XLogP2.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134
3-bromo-N,2-dimethyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82749448
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide (CID 104538212) is 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CCC1.
What is the InChIKey of 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide?
The InChIKey is YCEZBDXJVJCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O3S/c1-16(7-3-2-4-7)12(17)9-5-8(20(15,18)19)6-10(13)11(9)14/h5-7H,2-4H2,1H3,(H2,15,18,19).
What are the key properties of 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide?
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide has a molecular weight of 381.68 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 104538212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).