N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide

C16H14N2O3S2 — CID 95781119

IUPACN-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
SMILESC[S@@](=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H14N2O3S2/c1-22(19)14-9-7-13(8-10-14)18-23(20,21)15-6-2-4-12-5-3-11-17-16(12)15/h2-11,18H,1H3/t22-/m1/s1
InChIKeyKDYQTGFNRVIHKL-JOCHJYFZSA-N
MW346.43 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide

N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide (PubChem CID 95781119) has the molecular formula C16H14N2O3S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
PubChem CID95781119
Molecular FormulaC16H14N2O3S2
Molecular Weight346.43 g/mol
Exact Mass346.04
IUPAC NameN-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
SMILESC[S@@](=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H14N2O3S2/c1-22(19)14-9-7-13(8-10-14)18-23(20,21)15-6-2-4-12-5-3-11-17-16(12)15/h2-11,18H,1H3/t22-/m1/s1
InChIKeyKDYQTGFNRVIHKL-JOCHJYFZSA-N
XLogP2.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide (CID 95781119) is N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide is C[S@@](=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is KDYQTGFNRVIHKL-JOCHJYFZSA-N. The full InChI is InChI=1S/C16H14N2O3S2/c1-22(19)14-9-7-13(8-10-14)18-23(20,21)15-6-2-4-12-5-3-11-17-16(12)15/h2-11,18H,1H3/t22-/m1/s1.
What are the key properties of N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide?
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 346.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 95781119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).