N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide

C17H16N2O3S — CID 3338850

IUPACN-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-12-7-8-13(11-20)10-15(12)19-23(21,22)16-6-2-4-14-5-3-9-18-17(14)16/h2-10,19-20H,11H2,1H3
InChIKeyBXLJTVFLTSJCBH-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds4

About N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide

N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide (PubChem CID 3338850) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
PubChem CID3338850
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
SMILESCc1ccc(CO)cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c1-12-7-8-13(11-20)10-15(12)19-23(21,22)16-6-2-4-14-5-3-9-18-17(14)16/h2-10,19-20H,11H2,1H3
InChIKeyBXLJTVFLTSJCBH-UHFFFAOYSA-N
XLogP2.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
methyl 2-[[5-(hydroxymethyl)-2-methylphenyl]sulfamoyl]benzoate
CID 3685003
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
dimethyl 2-(quinolin-8-ylsulfonylamino)benzene-1,4-dicarboxylate
CID 4198827
2-hydroxy-N-[5-(hydroxymethyl)-2-methylphenyl]-5-methylbenzenesulfonamide
CID 56794472
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide (CID 3338850) is N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide is Cc1ccc(CO)cc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide?
The InChIKey is BXLJTVFLTSJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-7-8-13(11-20)10-15(12)19-23(21,22)16-6-2-4-14-5-3-9-18-17(14)16/h2-10,19-20H,11H2,1H3.
What are the key properties of N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide?
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 3338850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).