4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide

C11H12BrClN2O3S — CID 81295004

IUPAC4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
SMILESCC1CC1NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H12BrClN2O3S/c1-5-2-8(5)15-11(16)6-3-7(13)10(12)9(4-6)19(14,17)18/h3-5,8H,2H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCMFDFMBUULYNTD-UHFFFAOYSA-N
MW367.65 g/mol
LogP1.89
Rot. Bonds3

About 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide

4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide (PubChem CID 81295004) has the molecular formula C11H12BrClN2O3S and a molecular weight of 367.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
PubChem CID81295004
Molecular FormulaC11H12BrClN2O3S
Molecular Weight367.65 g/mol
Exact Mass365.94
IUPAC Name4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
SMILESCC1CC1NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H12BrClN2O3S/c1-5-2-8(5)15-11(16)6-3-7(13)10(12)9(4-6)19(14,17)18/h3-5,8H,2H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCMFDFMBUULYNTD-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 81294951
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
propyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295205
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81292020
3-chloro-N-(2-methylcyclopropyl)-4-nitrobenzamide
CID 82780340
cyclopentylmethyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81292391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide (CID 81295004) is 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide is CC1CC1NC(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide?
The InChIKey is CMFDFMBUULYNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3S/c1-5-2-8(5)15-11(16)6-3-7(13)10(12)9(4-6)19(14,17)18/h3-5,8H,2H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide?
4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide has a molecular weight of 367.65 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 81295004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).