3-chloro-2-methylbenzenesulfonamide

C7H8ClNO2S — CID 817231

IUPAC3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C7H8ClNO2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyJHIDHTQDDZCASD-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.30
Rot. Bonds1

About 3-chloro-2-methylbenzenesulfonamide

3-chloro-2-methylbenzenesulfonamide (PubChem CID 817231) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methylbenzenesulfonamide
PubChem CID817231
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C7H8ClNO2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyJHIDHTQDDZCASD-UHFFFAOYSA-N
XLogP1.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-2-methylbenzenesulfonamide (CID 817231) is 3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(N)(=O)=O.
What is the InChIKey of 3-chloro-2-methylbenzenesulfonamide?
The InChIKey is JHIDHTQDDZCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 3-chloro-2-methylbenzenesulfonamide?
3-chloro-2-methylbenzenesulfonamide has a molecular weight of 205.67 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 817231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).