4-bromo-2-chloro-6-methylbenzenesulfonamide

C7H7BrClNO2S — CID 50998104

IUPAC4-bromo-2-chloro-6-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyPFOCDVJMXDOFMI-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 4-bromo-2-chloro-6-methylbenzenesulfonamide

4-bromo-2-chloro-6-methylbenzenesulfonamide (PubChem CID 50998104) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-6-methylbenzenesulfonamide
PubChem CID50998104
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name4-bromo-2-chloro-6-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyPFOCDVJMXDOFMI-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 4-bromo-2-chloro-6-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-6-methylbenzenesulfonamide (CID 50998104) is 4-bromo-2-chloro-6-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-6-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-6-methylbenzenesulfonamide is Cc1cc(Br)cc(Cl)c1S(N)(=O)=O.
What is the InChIKey of 4-bromo-2-chloro-6-methylbenzenesulfonamide?
The InChIKey is PFOCDVJMXDOFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-bromo-2-chloro-6-methylbenzenesulfonamide?
4-bromo-2-chloro-6-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 4-bromo-2-chloro-6-methylbenzenesulfonamide is sourced from PubChem (CID 50998104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).