3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide

C8H9BrClNO2S — CID 106545094

IUPAC3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3
InChIKeyHYHPLLGZDQPXIA-UHFFFAOYSA-N
MW298.59 g/mol
LogP2.35
Rot. Bonds2

About 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide

3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide (PubChem CID 106545094) has the molecular formula C8H9BrClNO2S and a molecular weight of 298.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide
PubChem CID106545094
Molecular FormulaC8H9BrClNO2S
Molecular Weight298.59 g/mol
Exact Mass296.92
IUPAC Name3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3
InChIKeyHYHPLLGZDQPXIA-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonamide, 4-chloro-N,N-dimethyl-
CID 81967
3-Bromo-N,N-dimethylbenzenesulfonamide
CID 7129845
3-Bromo-4-chlorobenzene-1-sulfonyl chloride
CID 50999505
5-Bromo-4-chloro-2-fluorobenzenesulfonamide
CID 124252340
3-bromo-4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545481
3-bromo-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545538
3-bromo-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 106545712
3-bromo-4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106545729
3-bromo-4-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 106545969
3-bromo-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 106546396
3-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 106546576
1-(3-bromo-4-chlorophenyl)sulfonyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106546609

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide (CID 106545094) is 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is HYHPLLGZDQPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3.
What are the key properties of 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide?
3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 298.59 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106545094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).