2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide

C16H20N2O2S — CID 60905949

IUPAC2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccccc2)c(N)c1
InChIInChI=1S/C16H20N2O2S/c1-13-9-10-16(15(17)12-13)21(19,20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKeyKELPRZKJSQJJAV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide

2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 60905949) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID60905949
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCc2ccccc2)c(N)c1
InChIInChI=1S/C16H20N2O2S/c1-13-9-10-16(15(17)12-13)21(19,20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKeyKELPRZKJSQJJAV-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
2-amino-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62040457
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61106774
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 62636102
2-amino-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61111569

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide (CID 60905949) is 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCc2ccccc2)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is KELPRZKJSQJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-9-10-16(15(17)12-13)21(19,20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3.
What are the key properties of 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide?
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 60905949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).