3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide

C15H18N2O2S — CID 43255883

IUPAC3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h2-6,9-11,17H,7-8,16H2,1H3
InChIKeyUGOCTJVPVTYVAD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds5

About 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide

3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 43255883) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID43255883
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H18N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h2-6,9-11,17H,7-8,16H2,1H3
InChIKeyUGOCTJVPVTYVAD-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

3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
CID 43545886
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-amino-N-[(2-ethylphenyl)methyl]-5-methylbenzenesulfonamide
CID 64682575
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]-5-methylbenzenesulfonamide
CID 65230879
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 43255883) is 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is UGOCTJVPVTYVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h2-6,9-11,17H,7-8,16H2,1H3.
What are the key properties of 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide?
3-amino-5-methyl-N-(2-phenylethyl)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 3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 43255883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).