(2-chloro-6-methylphenyl)methanesulfonamide

C8H10ClNO2S — CID 86163288

IUPAC(2-chloro-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Cl)c1CS(N)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyNYXGFSDQJUFMMV-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.44
Rot. Bonds2

About (2-chloro-6-methylphenyl)methanesulfonamide

(2-chloro-6-methylphenyl)methanesulfonamide (PubChem CID 86163288) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)methanesulfonamide
PubChem CID86163288
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name(2-chloro-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(Cl)c1CS(N)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyNYXGFSDQJUFMMV-UHFFFAOYSA-N
XLogP1.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chlorobenzylsulfonamide
CID 146065
2-(2-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757778
(3-Chlorophenyl)methanesulfonamide
CID 11469803
2-(4-Chlorophenyl)ethane-1-sulfonamide
CID 17803495
1-(3-chlorophenyl)-N-methylmethanesulfonamide
CID 24758774
Benzenemethanesulfonamide, 2-chloro-, monosodium salt
CID 13266251
2-(2,6-Dichlorophenyl)ethane-1-sulfonyl chloride
CID 13237411
2-(3-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757779
2-(2-Chlorophenyl)ethene-1-sulfonamide
CID 11020338
2-(3-Chlorophenyl)ethane-1-sulfonamide
CID 59864251
2-Chloro-6-fluorobenzenemethanesulfonamide
CID 60722533
1-(2-chlorophenyl)-N-methylmethanesulfonamide
CID 2986489

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)methanesulfonamide?
The IUPAC name of (2-chloro-6-methylphenyl)methanesulfonamide (CID 86163288) is (2-chloro-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for (2-chloro-6-methylphenyl)methanesulfonamide?
The canonical SMILES for (2-chloro-6-methylphenyl)methanesulfonamide is Cc1cccc(Cl)c1CS(N)(=O)=O.
What is the InChIKey of (2-chloro-6-methylphenyl)methanesulfonamide?
The InChIKey is NYXGFSDQJUFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-3-2-4-8(9)7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of (2-chloro-6-methylphenyl)methanesulfonamide?
(2-chloro-6-methylphenyl)methanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 86163288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).