3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline

C16H19NO2S — CID 106512366

IUPAC3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline
SMILESCc1ccc(S(=O)(=O)CCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-13-6-8-16(9-7-13)20(18,19)11-10-17-15-5-3-4-14(2)12-15/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOFGZFVUHGVZZQO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.19
Rot. Bonds5

About 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline

3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline (PubChem CID 106512366) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline
PubChem CID106512366
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline
SMILESCc1ccc(S(=O)(=O)CCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-13-6-8-16(9-7-13)20(18,19)11-10-17-15-5-3-4-14(2)12-15/h3-9,12,17H,10-11H2,1-2H3
InChIKeyOFGZFVUHGVZZQO-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylethyl)-3-methylaniline
CID 43807532
4-fluoro-N-[2-(4-methylphenyl)sulfonylethyl]aniline
CID 106512341
N-ethyl-3-methylaniline;4-methylbenzenesulfonic acid
CID 162312873
methyl N-[3-[3-(4-methylphenyl)sulfonylpropylamino]phenyl]carbamate
CID 75399951
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-ethyl-3-methylaniline;sulfuric acid
CID 161001051
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
N-[2-[3-(3-methylanilino)propylamino]ethyl]-N'-(3-methylphenyl)propane-1,3-diamine
CID 56650104
N'-(2,6-dimethylphenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 54806140
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The IUPAC name of 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline (CID 106512366) is 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline is Cc1ccc(S(=O)(=O)CCNc2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
The InChIKey is OFGZFVUHGVZZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-6-8-16(9-7-13)20(18,19)11-10-17-15-5-3-4-14(2)12-15/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline?
3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline has a molecular weight of 289.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylphenyl)sulfonylethyl]aniline is sourced from PubChem (CID 106512366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).