4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide

C11H12BrClN2O3S — CID 81290579

IUPAC4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H12BrClN2O3S/c1-15(7-2-3-7)11(16)6-4-8(13)10(12)9(5-6)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyCULWDHIYAAJDRX-UHFFFAOYSA-N
MW367.65 g/mol
LogP1.98
Rot. Bonds3

About 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide

4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide (PubChem CID 81290579) has the molecular formula C11H12BrClN2O3S and a molecular weight of 367.65 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
PubChem CID81290579
Molecular FormulaC11H12BrClN2O3S
Molecular Weight367.65 g/mol
Exact Mass365.94
IUPAC Name4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H12BrClN2O3S/c1-15(7-2-3-7)11(16)6-4-8(13)10(12)9(5-6)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyCULWDHIYAAJDRX-UHFFFAOYSA-N
XLogP1.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
CID 81291381
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
2-bromo-3-chloro-5-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82748217
3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
CID 81295004
N,3,4-trimethyl-N-piperidin-4-yl-5-sulfamoylbenzamide
CID 119443970
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
cyclopentylmethyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81292391
5-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81292020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide (CID 81290579) is 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
The InChIKey is CULWDHIYAAJDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O3S/c1-15(7-2-3-7)11(16)6-4-8(13)10(12)9(5-6)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide?
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide has a molecular weight of 367.65 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81290579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).