2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C15H18N2O2S — CID 22722440

IUPAC2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-7-13(12)10-11-17-20(18,19)15-9-5-4-8-14(15)16/h2-9,17H,10-11,16H2,1H3
InChIKeyHRDWVESELUHQQW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 22722440) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID22722440
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C15H18N2O2S/c1-12-6-2-3-7-13(12)10-11-17-20(18,19)15-9-5-4-8-14(15)16/h2-9,17H,10-11,16H2,1H3
InChIKeyHRDWVESELUHQQW-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
5-(aminomethyl)-2-bromo-N-[2-(2-methylphenyl)ethyl]thiophene-3-sulfonamide
CID 106070776
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 103110630
2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
CID 62605153

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 22722440) is 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1CCNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is HRDWVESELUHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-6-2-3-7-13(12)10-11-17-20(18,19)15-9-5-4-8-14(15)16/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22722440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).