3-bromo-5-chloro-2-methylbenzenesulfonamide

C7H7BrClNO2S — CID 53443946

IUPAC3-bromo-5-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYSSAXNQAPWMSJK-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 3-bromo-5-chloro-2-methylbenzenesulfonamide

3-bromo-5-chloro-2-methylbenzenesulfonamide (PubChem CID 53443946) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methylbenzenesulfonamide
PubChem CID53443946
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-5-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Br)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyYSSAXNQAPWMSJK-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-methylbenzenesulfonamide (CID 53443946) is 3-bromo-5-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-methylbenzenesulfonamide is Cc1c(Br)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 3-bromo-5-chloro-2-methylbenzenesulfonamide?
The InChIKey is YSSAXNQAPWMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-5-chloro-2-methylbenzenesulfonamide?
3-bromo-5-chloro-2-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-2-methylbenzenesulfonamide is sourced from PubChem (CID 53443946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).