1-(2-chlorophenyl)-N-methylmethanesulfonamide

C8H10ClNO2S — CID 2986489

IUPAC1-(2-chlorophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyMTDTXGKGAKGHCJ-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methylmethanesulfonamide

1-(2-chlorophenyl)-N-methylmethanesulfonamide (PubChem CID 2986489) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methylmethanesulfonamide
PubChem CID2986489
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name1-(2-chlorophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
InChIKeyMTDTXGKGAKGHCJ-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-chlorophenyl)methanesulfonamide
CID 1502244
2-Chlorobenzylsulfonamide
CID 146065
N-methyl-1-phenylmethanesulfonamide
CID 290582
N-Methyl-2-phenylethene-1-sulfonamide
CID 2427246
(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
N-{2-[(2,6-dichlorobenzyl)sulfanyl]ethyl}methanesulfonamide
CID 2177616
N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}methanesulfonamide
CID 2284492
1-(2-chlorophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 715210
1-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 2987124
2-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 137645907
2-(2-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757778
(3-Chlorophenyl)methanesulfonamide
CID 11469803

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-methylmethanesulfonamide (CID 2986489) is 1-(2-chlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is MTDTXGKGAKGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methylmethanesulfonamide?
1-(2-chlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 2986489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).