(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide

C12H17N3O3S — CID 114809007

IUPAC(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C12H17N3O3S/c1-2-8-13-19(17,18)15-9-7-11(14-16)10-5-3-4-6-12(10)15/h3-6,13,16H,2,7-9H2,1H3/b14-11-
InChIKeyCNRRTAUSLQSXLL-KAMYIIQDSA-N
MW283.35 g/mol
LogP1.32
Rot. Bonds4

About (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide

(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide (PubChem CID 114809007) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
PubChem CID114809007
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C12H17N3O3S/c1-2-8-13-19(17,18)15-9-7-11(14-16)10-5-3-4-6-12(10)15/h3-6,13,16H,2,7-9H2,1H3/b14-11-
InChIKeyCNRRTAUSLQSXLL-KAMYIIQDSA-N
XLogP1.32
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 110612614
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
CID 114809006
(5Z)-5-hydroxyimino-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114809011
N-[1-(2-methoxyethylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033494
(NZ)-N-(1-cyclopropylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)hydroxylamine
CID 114337141
N-[1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033731
(5Z)-5-hydroxyimino-N-methyl-N-propan-2-yl-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114337149
1-[(4Z)-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-2-propoxyethanone
CID 107939249
1-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 77033398
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
(NZ)-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 78992106
N-[1-(3-methylbutyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77033810

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The IUPAC name of (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide (CID 114809007) is (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide.
What is the SMILES notation for (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The canonical SMILES for (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide is CCCNS(=O)(=O)N1CC/C(=N/O)c2ccccc21.
What is the InChIKey of (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The InChIKey is CNRRTAUSLQSXLL-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-8-13-19(17,18)15-9-7-11(14-16)10-5-3-4-6-12(10)15/h3-6,13,16H,2,7-9H2,1H3/b14-11-.
What are the key properties of (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide is sourced from PubChem (CID 114809007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).