N-(3-chloro-2-methylphenyl)methanesulfonamide

C8H10ClNO2S — CID 669020

IUPACN-(3-chloro-2-methylphenyl)methanesulfonamide
SMILESCc1c(Cl)cccc1NS(C)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-6-7(9)4-3-5-8(6)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyPFCAWYBIPIVFEW-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.02
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)methanesulfonamide

N-(3-chloro-2-methylphenyl)methanesulfonamide (PubChem CID 669020) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)methanesulfonamide
PubChem CID669020
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-(3-chloro-2-methylphenyl)methanesulfonamide
SMILESCc1c(Cl)cccc1NS(C)(=O)=O
InChIInChI=1S/C8H10ClNO2S/c1-6-7(9)4-3-5-8(6)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyPFCAWYBIPIVFEW-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 711089
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
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3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
N-(3-chloro-2-methylphenyl)piperazine-1-sulfonamide
CID 28775732
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
3-chloro-N-(3-ethylsulfonylpropyl)-2-methylaniline
CID 65094138
CID 59528238
CID 59528238
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)methanesulfonamide (CID 669020) is N-(3-chloro-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)methanesulfonamide is Cc1c(Cl)cccc1NS(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)methanesulfonamide?
The InChIKey is PFCAWYBIPIVFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-7(9)4-3-5-8(6)10-13(2,11)12/h3-5,10H,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)methanesulfonamide?
N-(3-chloro-2-methylphenyl)methanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 669020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).