2-bromo-4-chloro-3-methylbenzenesulfonamide

C7H7BrClNO2S — CID 171001870

IUPAC2-bromo-4-chloro-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(N)(=O)=O)c1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-5(9)2-3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyXLTNGNZMCLAKJM-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 2-bromo-4-chloro-3-methylbenzenesulfonamide

2-bromo-4-chloro-3-methylbenzenesulfonamide (PubChem CID 171001870) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 2-bromo-4-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-chloro-3-methylbenzenesulfonamide
PubChem CID171001870
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name2-bromo-4-chloro-3-methylbenzenesulfonamide
SMILESCc1c(Cl)ccc(S(N)(=O)=O)c1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-5(9)2-3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyXLTNGNZMCLAKJM-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 2-bromo-4-chloro-3-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-chloro-3-methylbenzenesulfonamide (CID 171001870) is 2-bromo-4-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-chloro-3-methylbenzenesulfonamide is Cc1c(Cl)ccc(S(N)(=O)=O)c1Br.
What is the InChIKey of 2-bromo-4-chloro-3-methylbenzenesulfonamide?
The InChIKey is XLTNGNZMCLAKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-5(9)2-3-6(7(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-bromo-4-chloro-3-methylbenzenesulfonamide?
2-bromo-4-chloro-3-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 2-bromo-4-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 171001870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).