2-bromo-5-chloro-4-methylbenzenesulfonamide

C7H7BrClNO2S — CID 50876692

IUPAC2-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyINHMYBQHDSFIQJ-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 2-bromo-5-chloro-4-methylbenzenesulfonamide

2-bromo-5-chloro-4-methylbenzenesulfonamide (PubChem CID 50876692) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methylbenzenesulfonamide
PubChem CID50876692
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name2-bromo-5-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyINHMYBQHDSFIQJ-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-5-chloro-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-chloro-4-methylbenzenesulfonamide (CID 50876692) is 2-bromo-5-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-chloro-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methylbenzenesulfonamide?
The InChIKey is INHMYBQHDSFIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-5(8)7(3-6(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-bromo-5-chloro-4-methylbenzenesulfonamide?
2-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 2-bromo-5-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 50876692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).