4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide

C9H10BrClN2O3S — CID 81291381

IUPAC4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10BrClN2O3S/c1-13(2)9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16)
InChIKeyHDZPQOAEHGMXIF-UHFFFAOYSA-N
MW341.61 g/mol
LogP1.45
Rot. Bonds2

About 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide

4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide (PubChem CID 81291381) has the molecular formula C9H10BrClN2O3S and a molecular weight of 341.61 g/mol. Its IUPAC name is 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
PubChem CID81291381
Molecular FormulaC9H10BrClN2O3S
Molecular Weight341.61 g/mol
Exact Mass339.93
IUPAC Name4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10BrClN2O3S/c1-13(2)9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16)
InChIKeyHDZPQOAEHGMXIF-UHFFFAOYSA-N
XLogP1.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
propyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295205
4-bromo-3-chloro-5-fluoro-N,N-dimethylbenzamide
CID 177301592
4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
butyl 4-bromo-3-chloro-5-sulfamoylbenzoate
CID 81295306
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842
4-bromo-3-chloro-N-(2-methylcyclopropyl)-5-sulfamoylbenzamide
CID 81295004
5-(azepane-1-carbonyl)-2-bromo-3-chlorobenzenesulfonamide
CID 81291287
2-bromo-3-chloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81295736
2-bromo-5-[butyl(methyl)carbamoyl]-3-chlorobenzenesulfonyl chloride
CID 81295735
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide (CID 81291381) is 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide is CN(C)C(=O)c1cc(Cl)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide?
The InChIKey is HDZPQOAEHGMXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O3S/c1-13(2)9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,1-2H3,(H2,12,15,16).
What are the key properties of 4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide?
4-bromo-3-chloro-N,N-dimethyl-5-sulfamoylbenzamide has a molecular weight of 341.61 g/mol, XLogP of 1.45, 2 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,N-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).