3-bromo-5-chloro-4-methylbenzenesulfonamide

C7H7BrClNO2S — CID 171001921

IUPAC3-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyCSXIGZNMQZFKRQ-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 3-bromo-5-chloro-4-methylbenzenesulfonamide

3-bromo-5-chloro-4-methylbenzenesulfonamide (PubChem CID 171001921) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-4-methylbenzenesulfonamide
PubChem CID171001921
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1c(Cl)cc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyCSXIGZNMQZFKRQ-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-5-chlorobenzene-1-sulfonamide
CID 119084222
4-Bromomethyl-3-chloro-benzenesulfonamide
CID 18629015
3-Bromo-5-chloro-4-methylbenzenesulfonic acid
CID 54235186
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
3-Bromo-5-chloro-2-methylbenzenesulfonyl chloride
CID 153327466
3-Bromo-5-chloro-2-iodo-4-methylbenzenesulfonic acid
CID 154251985
3-Bromo-5-chloro-4-methylbenzenesulfonyl chloride
CID 170565395
3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
CID 170743837
1-Bromo-3-chloro-5-(2,2-dimethylpropylsulfonyl)-2-methylbenzene
CID 170744008
2-Bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876692
3-Bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
(2-Bromo-6-chlorophenyl)methanesulfonamide
CID 122163246

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-4-methylbenzenesulfonamide (CID 171001921) is 3-bromo-5-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-4-methylbenzenesulfonamide is Cc1c(Cl)cc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-4-methylbenzenesulfonamide?
The InChIKey is CSXIGZNMQZFKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-5-chloro-4-methylbenzenesulfonamide?
3-bromo-5-chloro-4-methylbenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 171001921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).