N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride

C13H18ClN3O4S — CID 154907865

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride
SMILESCl.O=C1CCc2cc(S(=O)(=O)N[C@@H]3CNC[C@H]3O)ccc2N1
InChIInChI=1S/C13H17N3O4S.ClH/c17-12-7-14-6-11(12)16-21(19,20)9-2-3-10-8(5-9)1-4-13(18)15-10;/h2-3,5,11-12,14,16-17H,1,4,6-7H2,(H,15,18);1H/t11-,12-;/m1./s1
InChIKeyWRYHHFMRHBQRQO-MNMPKAIFSA-N
MW347.82 g/mol
LogP-0.40
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride (PubChem CID 154907865) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride
PubChem CID154907865
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride
SMILESCl.O=C1CCc2cc(S(=O)(=O)N[C@@H]3CNC[C@H]3O)ccc2N1
InChIInChI=1S/C13H17N3O4S.ClH/c17-12-7-14-6-11(12)16-21(19,20)9-2-3-10-8(5-9)1-4-13(18)15-10;/h2-3,5,11-12,14,16-17H,1,4,6-7H2,(H,15,18);1H/t11-,12-;/m1./s1
InChIKeyWRYHHFMRHBQRQO-MNMPKAIFSA-N
XLogP-0.40
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride (CID 154907865) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride is Cl.O=C1CCc2cc(S(=O)(=O)N[C@@H]3CNC[C@H]3O)ccc2N1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride?
The InChIKey is WRYHHFMRHBQRQO-MNMPKAIFSA-N. The full InChI is InChI=1S/C13H17N3O4S.ClH/c17-12-7-14-6-11(12)16-21(19,20)9-2-3-10-8(5-9)1-4-13(18)15-10;/h2-3,5,11-12,14,16-17H,1,4,6-7H2,(H,15,18);1H/t11-,12-;/m1./s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride has a molecular weight of 347.82 g/mol, XLogP of -0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride is sourced from PubChem (CID 154907865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).