2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide

C16H20N2O2S — CID 43101041

IUPAC2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
SMILESCc1ccccc1C(C)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O2S/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyRSSBKDSEKFDUGU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.12
Rot. Bonds4

About 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide

2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide (PubChem CID 43101041) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
PubChem CID43101041
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide
SMILESCc1ccccc1C(C)Nc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O2S/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20)
InChIKeyRSSBKDSEKFDUGU-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
2-methyl-5-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43203342
3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
4-bromo-N-[1-(2-methylphenyl)ethyl]-3-nitroaniline
CID 79768073
N-[1-(2-methylphenyl)ethyl]-4-propan-2-ylaniline
CID 43099518
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 43744252
2-methylbenzenesulfonamide
CID 6924
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide (CID 43101041) is 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide is Cc1ccccc1C(C)Nc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide?
The InChIKey is RSSBKDSEKFDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-6-4-5-7-15(11)13(3)18-14-9-8-12(2)16(10-14)21(17,19)20/h4-10,13,18H,1-3H3,(H2,17,19,20).
What are the key properties of 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide?
2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(2-methylphenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 43101041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).