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

C12H15N3O3S — CID 114809006

IUPAC(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
SMILESO=S(=O)(NC1CC1)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C12H15N3O3S/c16-13-11-7-8-15(12-4-2-1-3-10(11)12)19(17,18)14-9-5-6-9/h1-4,9,14,16H,5-8H2/b13-11-
InChIKeyVKMDHUABBYKQLP-QBFSEMIESA-N
MW281.34 g/mol
LogP1.07
Rot. Bonds3

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

(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide (PubChem CID 114809006) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide.

Molecular Properties

Compound Name(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
PubChem CID114809006
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
SMILESO=S(=O)(NC1CC1)N1CC/C(=N/O)c2ccccc21
InChIInChI=1S/C12H15N3O3S/c16-13-11-7-8-15(12-4-2-1-3-10(11)12)19(17,18)14-9-5-6-9/h1-4,9,14,16H,5-8H2/b13-11-
InChIKeyVKMDHUABBYKQLP-QBFSEMIESA-N
XLogP1.07
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide?
The IUPAC name of (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide (CID 114809006) is (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide.
What is the SMILES notation for (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide?
The canonical SMILES for (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide is O=S(=O)(NC1CC1)N1CC/C(=N/O)c2ccccc21.
What is the InChIKey of (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide?
The InChIKey is VKMDHUABBYKQLP-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-13-11-7-8-15(12-4-2-1-3-10(11)12)19(17,18)14-9-5-6-9/h1-4,9,14,16H,5-8H2/b13-11-.
What are the key properties of (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide?
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide is sourced from PubChem (CID 114809006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).