2-chloro-N-methyl-6-methylsulfonylaniline

C8H10ClNO2S — CID 21161571

IUPAC2-chloro-N-methyl-6-methylsulfonylaniline
SMILESCNc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-10-8-6(9)4-3-5-7(8)13(2,11)12/h3-5,10H,1-2H3
InChIKeyBGSKAYMARNWDCH-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-N-methyl-6-methylsulfonylaniline

2-chloro-N-methyl-6-methylsulfonylaniline (PubChem CID 21161571) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-methyl-6-methylsulfonylaniline
PubChem CID21161571
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-chloro-N-methyl-6-methylsulfonylaniline
SMILESCNc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-10-8-6(9)4-3-5-7(8)13(2,11)12/h3-5,10H,1-2H3
InChIKeyBGSKAYMARNWDCH-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(methylamino)benzenethiol
CID 89377589
3-methylsulfonyl-2-(2-methylsulfonyl-6-sulfanylanilino)benzenethiol
CID 141456176
N-[(2-chloro-6-methylsulfonylphenyl)methyl]morpholin-4-amine
CID 83170294
1-(2-chloro-6-methylsulfonylphenyl)cyclopropan-1-amine
CID 84802967
N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-(2-chloro-6-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117416079
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-amino-1-(2-chloro-6-methylsulfonylphenyl)ethanone
CID 84706315
N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
CID 112989678
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-methyl-6-methylsulfonylaniline (CID 21161571) is 2-chloro-N-methyl-6-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-methyl-6-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-methyl-6-methylsulfonylaniline is CNc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-methyl-6-methylsulfonylaniline?
The InChIKey is BGSKAYMARNWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10-8-6(9)4-3-5-7(8)13(2,11)12/h3-5,10H,1-2H3.
What are the key properties of 2-chloro-N-methyl-6-methylsulfonylaniline?
2-chloro-N-methyl-6-methylsulfonylaniline has a molecular weight of 219.69 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-methylsulfonylaniline is sourced from PubChem (CID 21161571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).