N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H22N2O6S — CID 133268864

IUPACN-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@H]3COCC[C@H]3OCCO)ccc2N1
InChIInChI=1S/C16H22N2O6S/c19-6-8-24-15-5-7-23-10-14(15)18-25(21,22)12-2-3-13-11(9-12)1-4-16(20)17-13/h2-3,9,14-15,18-19H,1,4-8,10H2,(H,17,20)/t14-,15+/m0/s1
InChIKeyRPFKVCXYQNSCEO-LSDHHAIUSA-N
MW370.43 g/mol
LogP0.02
Rot. Bonds6

About N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 133268864) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID133268864
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC NameN-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESO=C1CCc2cc(S(=O)(=O)N[C@H]3COCC[C@H]3OCCO)ccc2N1
InChIInChI=1S/C16H22N2O6S/c19-6-8-24-15-5-7-23-10-14(15)18-25(21,22)12-2-3-13-11(9-12)1-4-16(20)17-13/h2-3,9,14-15,18-19H,1,4-8,10H2,(H,17,20)/t14-,15+/m0/s1
InChIKeyRPFKVCXYQNSCEO-LSDHHAIUSA-N
XLogP0.02
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide;hydrochloride
CID 154907865
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]acetamide
CID 8801657
2-oxo-N-[(3S)-2-oxothiolan-3-yl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 42558680
N-(2-morpholin-4-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8777856
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826
N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
7-fluoro-N-[(3S,4S)-4-hydroxyoxolan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 146143545
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 24604890
2-(1-methoxypiperidin-4-yl)-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]acetamide
CID 155960607
6-[3-(hydroxymethyl)morpholine-4-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 102712814
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 133268864) is N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)N[C@H]3COCC[C@H]3OCCO)ccc2N1.
What is the InChIKey of N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is RPFKVCXYQNSCEO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22N2O6S/c19-6-8-24-15-5-7-23-10-14(15)18-25(21,22)12-2-3-13-11(9-12)1-4-16(20)17-13/h2-3,9,14-15,18-19H,1,4-8,10H2,(H,17,20)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(2-hydroxyethoxy)oxan-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 133268864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).