1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

C15H15ClN2O2S — CID 62266376

IUPAC1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C15H15ClN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2
InChIKeyRRKLXWITAHUWAO-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine

1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 62266376) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID62266376
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCC2
InChIInChI=1S/C15H15ClN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2
InChIKeyRRKLXWITAHUWAO-UHFFFAOYSA-N
XLogP3.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62267076
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
7-amino-N,N-dimethyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 28707191
1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28970986
1-(3-chlorophenyl)sulfonyl-2,3-dihydroindole-6-carboxylic acid;4-(2H-tetrazol-5-yl)-3-(trifluoromethyl)aniline
CID 162622776
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(4-chlorophenyl)urea
CID 30372801
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 106465544
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine (CID 62266376) is 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is Nc1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCC2.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is RRKLXWITAHUWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-12-4-1-5-14(9-12)21(19,20)18-8-2-3-11-6-7-13(17)10-15(11)18/h1,4-7,9-10H,2-3,8,17H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine?
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 322.82 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 62266376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).