2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide

C16H20N2O2S — CID 62145986

IUPAC2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-17-15-11-5-6-12-16(15)21(19,20)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17-18H,7,10,13H2,1H3
InChIKeyAAVZDACUMBIXMN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.64
Rot. Bonds7

About 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide

2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 62145986) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID62145986
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-17-15-11-5-6-12-16(15)21(19,20)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17-18H,7,10,13H2,1H3
InChIKeyAAVZDACUMBIXMN-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522029
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106342257
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 74225171
N-[2-[[2-(methylamino)phenyl]sulfonylamino]ethyl]acetamide
CID 55043683
2,4,5-trichloro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680947
2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide (CID 62145986) is 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide is CNc1ccccc1S(=O)(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is AAVZDACUMBIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-15-11-5-6-12-16(15)21(19,20)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12,17-18H,7,10,13H2,1H3.
What are the key properties of 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide?
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 62145986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).