N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide

C13H14F2N2O3S — CID 103836890

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC(O)C(F)F)cccc2c1
InChIInChI=1S/C13H14F2N2O3S/c1-8-5-9-3-2-4-11(12(9)16-6-8)21(19,20)17-7-10(18)13(14)15/h2-6,10,13,17-18H,7H2,1H3
InChIKeyPKMKJPFEXJLPMC-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.45
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide (PubChem CID 103836890) has the molecular formula C13H14F2N2O3S and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
PubChem CID103836890
Molecular FormulaC13H14F2N2O3S
Molecular Weight316.33 g/mol
Exact Mass316.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCC(O)C(F)F)cccc2c1
InChIInChI=1S/C13H14F2N2O3S/c1-8-5-9-3-2-4-11(12(9)16-6-8)21(19,20)17-7-10(18)13(14)15/h2-6,10,13,17-18H,7H2,1H3
InChIKeyPKMKJPFEXJLPMC-UHFFFAOYSA-N
XLogP1.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(4-hydroxybutyl)-3-methylquinoline-8-sulfonamide
CID 106844087
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
CID 132972500
ethyl N-[4-methyl-1-[(3-methylquinolin-8-yl)sulfonylamino]pentan-2-yl]carbamate
CID 46457653
3-methyl-N-[(E)-pent-3-enyl]quinoline-8-sulfonamide
CID 113236576
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
CID 42960750
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide (CID 103836890) is N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCC(O)C(F)F)cccc2c1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is PKMKJPFEXJLPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3S/c1-8-5-9-3-2-4-11(12(9)16-6-8)21(19,20)17-7-10(18)13(14)15/h2-6,10,13,17-18H,7H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 316.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 103836890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).