2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide

C15H18N2O2S — CID 62313894

IUPAC2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-12-5-4-6-13(11-12)9-10-17-20(18,19)15-8-3-2-7-14(15)16/h2-8,11,17H,9-10,16H2,1H3
InChIKeyKBIWDQGSTSSLFT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds5

About 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide

2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 62313894) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
PubChem CID62313894
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-12-5-4-6-13(11-12)9-10-17-20(18,19)15-8-3-2-7-14(15)16/h2-8,11,17H,9-10,16H2,1H3
InChIKeyKBIWDQGSTSSLFT-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

2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
CID 62605153
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 104859220
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 55062668
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide (CID 62313894) is 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide is Cc1cccc(CCNS(=O)(=O)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KBIWDQGSTSSLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-5-4-6-13(11-12)9-10-17-20(18,19)15-8-3-2-7-14(15)16/h2-8,11,17H,9-10,16H2,1H3.
What are the key properties of 2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide?
2-amino-N-[2-(3-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-(3-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 62313894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).