(2-methylphenyl)methanesulfonamide;hydrochloride

C8H12ClNO2S — CID 70129297

IUPAC(2-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1ccccc1CS(N)(=O)=O.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-7-4-2-3-5-8(7)6-12(9,10)11;/h2-5H,6H2,1H3,(H2,9,10,11);1H
InChIKeyVIVJEXSQJZOIRY-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.21
Rot. Bonds2

About (2-methylphenyl)methanesulfonamide;hydrochloride

(2-methylphenyl)methanesulfonamide;hydrochloride (PubChem CID 70129297) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is (2-methylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name(2-methylphenyl)methanesulfonamide;hydrochloride
PubChem CID70129297
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC Name(2-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1ccccc1CS(N)(=O)=O.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-7-4-2-3-5-8(7)6-12(9,10)11;/h2-5H,6H2,1H3,(H2,9,10,11);1H
InChIKeyVIVJEXSQJZOIRY-UHFFFAOYSA-N
XLogP1.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(methanesulfonamido)phenyl]methanesulfonamide
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N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of (2-methylphenyl)methanesulfonamide;hydrochloride (CID 70129297) is (2-methylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for (2-methylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for (2-methylphenyl)methanesulfonamide;hydrochloride is Cc1ccccc1CS(N)(=O)=O.Cl.
What is the InChIKey of (2-methylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is VIVJEXSQJZOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-7-4-2-3-5-8(7)6-12(9,10)11;/h2-5H,6H2,1H3,(H2,9,10,11);1H.
What are the key properties of (2-methylphenyl)methanesulfonamide;hydrochloride?
(2-methylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 70129297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).