4-bromo-3-chloro-2-methylbenzenesulfonamide

C7H7BrClNO2S — CID 50998107

IUPAC4-bromo-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc(Br)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeyQZPNLZNFGLTPMR-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

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

4-bromo-3-chloro-2-methylbenzenesulfonamide (PubChem CID 50998107) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-2-methylbenzenesulfonamide
PubChem CID50998107
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name4-bromo-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(S(N)(=O)=O)ccc(Br)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeyQZPNLZNFGLTPMR-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-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-2-methylbenzenesulfonamide (CID 50998107) is 4-bromo-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-2-methylbenzenesulfonamide is Cc1c(S(N)(=O)=O)ccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is QZPNLZNFGLTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 4-bromo-3-chloro-2-methylbenzenesulfonamide?
4-bromo-3-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 4-bromo-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 50998107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).