4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide

C17H21N3O2S — CID 75505643

IUPAC4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H21N3O2S/c1-20-11-10-13(16-4-2-3-5-17(16)20)12-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,13,19H,10-12,18H2,1H3
InChIKeyGYYHVZWOUOJANK-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide

4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide (PubChem CID 75505643) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide
PubChem CID75505643
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H21N3O2S/c1-20-11-10-13(16-4-2-3-5-17(16)20)12-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,13,19H,10-12,18H2,1H3
InChIKeyGYYHVZWOUOJANK-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide (CID 75505643) is 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide is CN1CCC(CNS(=O)(=O)c2ccc(N)cc2)c2ccccc21.
What is the InChIKey of 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide?
The InChIKey is GYYHVZWOUOJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-20-11-10-13(16-4-2-3-5-17(16)20)12-19-23(21,22)15-8-6-14(18)7-9-15/h2-9,13,19H,10-12,18H2,1H3.
What are the key properties of 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide?
4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75505643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).