1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide

C16H18ClNO2S — CID 17257579

IUPAC1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-3-13-9-6-7-12(2)16(13)18-21(19,20)11-14-8-4-5-10-15(14)17/h4-10,18H,3,11H2,1-2H3
InChIKeyIFAGGVFXEGIYBG-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide

1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide (PubChem CID 17257579) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
PubChem CID17257579
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO2S/c1-3-13-9-6-7-12(2)16(13)18-21(19,20)11-14-8-4-5-10-15(14)17/h4-10,18H,3,11H2,1-2H3
InChIKeyIFAGGVFXEGIYBG-UHFFFAOYSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 63665094
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
1-(2-chlorophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 75538969
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
1-(2-chlorophenyl)-N-(2-methyl-3-nitrophenyl)methanesulfonamide
CID 17257593
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
1-(2-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778591
1-(2-chlorophenyl)-N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 110727363

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide (CID 17257579) is 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide is CCc1cccc(C)c1NS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
The InChIKey is IFAGGVFXEGIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-13-9-6-7-12(2)16(13)18-21(19,20)11-14-8-4-5-10-15(14)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide?
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 17257579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).