3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide

C19H23N3O2S — CID 57051799

IUPAC3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide
SMILESCC(c1ccccc1)N1CCCC=C1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2S/c1-15(16-8-3-2-4-9-16)22-13-6-5-12-19(22)21-25(23,24)18-11-7-10-17(20)14-18/h2-4,7-12,14-15,21H,5-6,13,20H2,1H3
InChIKeyUKZYYKWCDFUABJ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.25
Rot. Bonds5

About 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide

3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide (PubChem CID 57051799) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide
PubChem CID57051799
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide
SMILESCC(c1ccccc1)N1CCCC=C1NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2S/c1-15(16-8-3-2-4-9-16)22-13-6-5-12-19(22)21-25(23,24)18-11-7-10-17(20)14-18/h2-4,7-12,14-15,21H,5-6,13,20H2,1H3
InChIKeyUKZYYKWCDFUABJ-UHFFFAOYSA-N
XLogP3.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-chloro-N-[5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]benzenesulfonamide
CID 42869262
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
(2S,3S)-2-[(3-aminophenyl)sulfonylamino]-3-hydroxy-3-phenylpropanoic acid
CID 40547562
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
3-amino-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]benzenesulfonamide
CID 129408262
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
3-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]aniline
CID 61263858
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzenesulfonamide
CID 65472151
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide (CID 57051799) is 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide is CC(c1ccccc1)N1CCCC=C1NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide?
The InChIKey is UKZYYKWCDFUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-15(16-8-3-2-4-9-16)22-13-6-5-12-19(22)21-25(23,24)18-11-7-10-17(20)14-18/h2-4,7-12,14-15,21H,5-6,13,20H2,1H3.
What are the key properties of 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide?
3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-phenylethyl)-3,4-dihydro-2H-pyridin-6-yl]benzenesulfonamide is sourced from PubChem (CID 57051799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).