N-methyl-2-methylsulfonylaniline;hydrochloride

C8H12ClNO2S — CID 68840183

IUPACN-methyl-2-methylsulfonylaniline;hydrochloride
SMILESCNc1ccccc1S(C)(=O)=O.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-9-7-5-3-4-6-8(7)12(2,10)11;/h3-6,9H,1-2H3;1H
InChIKeyULBWXOFISNSXPL-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.55
Rot. Bonds2

About N-methyl-2-methylsulfonylaniline;hydrochloride

N-methyl-2-methylsulfonylaniline;hydrochloride (PubChem CID 68840183) has the molecular formula C8H12ClNO2S and a molecular weight of 221.71 g/mol. Its IUPAC name is N-methyl-2-methylsulfonylaniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-methylsulfonylaniline;hydrochloride
PubChem CID68840183
Molecular FormulaC8H12ClNO2S
Molecular Weight221.71 g/mol
Exact Mass221.03
IUPAC NameN-methyl-2-methylsulfonylaniline;hydrochloride
SMILESCNc1ccccc1S(C)(=O)=O.Cl
InChIInChI=1S/C8H11NO2S.ClH/c1-9-7-5-3-4-6-8(7)12(2,10)11;/h3-6,9H,1-2H3;1H
InChIKeyULBWXOFISNSXPL-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
N-(2-methylpropyl)-2-methylsulfonylaniline
CID 43388031
2-(2-methylsulfonylanilino)acetaldehyde
CID 21244567
1-bromo-N-(2-methylsulfonylphenyl)methanesulfonamide
CID 83084505
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
2-methylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630343
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
N-(6-methylheptan-2-yl)-2-methylsulfonylaniline
CID 61472578
2-methyl-2-(2-methylsulfonylanilino)propanamide
CID 61220583
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonylaniline;hydrochloride?
The IUPAC name of N-methyl-2-methylsulfonylaniline;hydrochloride (CID 68840183) is N-methyl-2-methylsulfonylaniline;hydrochloride.
What is the SMILES notation for N-methyl-2-methylsulfonylaniline;hydrochloride?
The canonical SMILES for N-methyl-2-methylsulfonylaniline;hydrochloride is CNc1ccccc1S(C)(=O)=O.Cl.
What is the InChIKey of N-methyl-2-methylsulfonylaniline;hydrochloride?
The InChIKey is ULBWXOFISNSXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.ClH/c1-9-7-5-3-4-6-8(7)12(2,10)11;/h3-6,9H,1-2H3;1H.
What are the key properties of N-methyl-2-methylsulfonylaniline;hydrochloride?
N-methyl-2-methylsulfonylaniline;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonylaniline;hydrochloride is sourced from PubChem (CID 68840183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).