3-[(2-phenylpropylamino)methyl]benzenesulfonamide

C16H20N2O2S — CID 60858820

IUPAC3-[(2-phenylpropylamino)methyl]benzenesulfonamide
SMILESCC(CNCc1cccc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(15-7-3-2-4-8-15)11-18-12-14-6-5-9-16(10-14)21(17,19)20/h2-10,13,18H,11-12H2,1H3,(H2,17,19,20)
InChIKeyXGJJXICVEQZTRN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.23
Rot. Bonds6

About 3-[(2-phenylpropylamino)methyl]benzenesulfonamide

3-[(2-phenylpropylamino)methyl]benzenesulfonamide (PubChem CID 60858820) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(2-phenylpropylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2-phenylpropylamino)methyl]benzenesulfonamide
PubChem CID60858820
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(2-phenylpropylamino)methyl]benzenesulfonamide
SMILESCC(CNCc1cccc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(15-7-3-2-4-8-15)11-18-12-14-6-5-9-16(10-14)21(17,19)20/h2-10,13,18H,11-12H2,1H3,(H2,17,19,20)
InChIKeyXGJJXICVEQZTRN-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
2-methyl-1-(1-phenylethyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 110948318
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
CID 153373569
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[(5-methylhexan-2-ylamino)methyl]benzenesulfonamide
CID 60857993
3-[(heptylamino)methyl]benzenesulfonamide
CID 60859949
3-[(octylamino)methyl]benzenesulfonamide
CID 60860115

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylpropylamino)methyl]benzenesulfonamide?
The IUPAC name of 3-[(2-phenylpropylamino)methyl]benzenesulfonamide (CID 60858820) is 3-[(2-phenylpropylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(2-phenylpropylamino)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(2-phenylpropylamino)methyl]benzenesulfonamide is CC(CNCc1cccc(S(N)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 3-[(2-phenylpropylamino)methyl]benzenesulfonamide?
The InChIKey is XGJJXICVEQZTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(15-7-3-2-4-8-15)11-18-12-14-6-5-9-16(10-14)21(17,19)20/h2-10,13,18H,11-12H2,1H3,(H2,17,19,20).
What are the key properties of 3-[(2-phenylpropylamino)methyl]benzenesulfonamide?
3-[(2-phenylpropylamino)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylpropylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60858820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).