N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide

C15H18N2O4S — CID 91796213

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c2ncccc2c1
InChIInChI=1S/C15H18N2O4S/c1-10-7-11-3-2-5-16-15(11)14(8-10)22(19,20)17-12-4-6-21-9-13(12)18/h2-3,5,7-8,12-13,17-18H,4,6,9H2,1H3/t12-,13-/m1/s1
InChIKeyYDEUZICUCWINAJ-CHWSQXEVSA-N
MW322.39 g/mol
LogP0.97
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide (PubChem CID 91796213) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide
PubChem CID91796213
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c2ncccc2c1
InChIInChI=1S/C15H18N2O4S/c1-10-7-11-3-2-5-16-15(11)14(8-10)22(19,20)17-12-4-6-21-9-13(12)18/h2-3,5,7-8,12-13,17-18H,4,6,9H2,1H3/t12-,13-/m1/s1
InChIKeyYDEUZICUCWINAJ-CHWSQXEVSA-N
XLogP0.97
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-6-methylquinoline-8-sulfonamide
CID 154818890
N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 91786203
6-methylquinoline-8-sulfonyl fluoride
CID 165453594
6-methyl-N-(2-methylphenyl)quinoline-8-sulfonamide
CID 7304307
(3aR,7aR)-2-(6-methylquinolin-8-yl)sulfonyl-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154807422
6-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinoline-8-sulfonamide
CID 51966441
3-methyl-N-(2-methylpiperidin-3-yl)quinoline-8-sulfonamide;hydrochloride
CID 120726393
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
CID 132972500
N-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]quinoline-8-sulfonamide
CID 126938656
6-methyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)quinoline-8-sulfonamide
CID 167777413

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide (CID 91796213) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)c2ncccc2c1.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide?
The InChIKey is YDEUZICUCWINAJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10-7-11-3-2-5-16-15(11)14(8-10)22(19,20)17-12-4-6-21-9-13(12)18/h2-3,5,7-8,12-13,17-18H,4,6,9H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-6-methylquinoline-8-sulfonamide is sourced from PubChem (CID 91796213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).