3-bromo-4-methylbenzenesulfonamide

C7H8BrNO2S — CID 18400117

IUPAC3-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H8BrNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyCFMBNGJNYNLPDL-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.40
Rot. Bonds1

About 3-bromo-4-methylbenzenesulfonamide

3-bromo-4-methylbenzenesulfonamide (PubChem CID 18400117) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 3-bromo-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methylbenzenesulfonamide
PubChem CID18400117
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name3-bromo-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H8BrNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyCFMBNGJNYNLPDL-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-methylbenzenesulfonamide (CID 18400117) is 3-bromo-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-methylbenzenesulfonamide?
The InChIKey is CFMBNGJNYNLPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 3-bromo-4-methylbenzenesulfonamide?
3-bromo-4-methylbenzenesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylbenzenesulfonamide is sourced from PubChem (CID 18400117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).