2,4-dichloro-5-methylbenzenesulfonamide

C7H7Cl2NO2S — CID 2799397

IUPAC2,4-dichloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyWBEVHKJVBJYFLT-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.95
Rot. Bonds1

About 2,4-dichloro-5-methylbenzenesulfonamide

2,4-dichloro-5-methylbenzenesulfonamide (PubChem CID 2799397) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is 2,4-dichloro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methylbenzenesulfonamide
PubChem CID2799397
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC Name2,4-dichloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12)
InChIKeyWBEVHKJVBJYFLT-UHFFFAOYSA-N
XLogP1.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methylbenzenesulfonamide (CID 2799397) is 2,4-dichloro-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methylbenzenesulfonamide?
The InChIKey is WBEVHKJVBJYFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2,4-dichloro-5-methylbenzenesulfonamide?
2,4-dichloro-5-methylbenzenesulfonamide has a molecular weight of 240.11 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methylbenzenesulfonamide is sourced from PubChem (CID 2799397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).