3-methyl-N-propan-2-ylquinoline-8-sulfonamide

C13H16N2O2S — CID 60721828

IUPAC3-methyl-N-propan-2-ylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)C)cccc2c1
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-18(16,17)12-6-4-5-11-7-10(3)8-14-13(11)12/h4-9,15H,1-3H3
InChIKeyZXBQGHTZZKZPPS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds3

About 3-methyl-N-propan-2-ylquinoline-8-sulfonamide

3-methyl-N-propan-2-ylquinoline-8-sulfonamide (PubChem CID 60721828) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylquinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylquinoline-8-sulfonamide
PubChem CID60721828
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-methyl-N-propan-2-ylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)C)cccc2c1
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-18(16,17)12-6-4-5-11-7-10(3)8-14-13(11)12/h4-9,15H,1-3H3
InChIKeyZXBQGHTZZKZPPS-UHFFFAOYSA-N
XLogP2.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
CID 30746930
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylquinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-propan-2-ylquinoline-8-sulfonamide (CID 60721828) is 3-methyl-N-propan-2-ylquinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-propan-2-ylquinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-propan-2-ylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC(C)C)cccc2c1.
What is the InChIKey of 3-methyl-N-propan-2-ylquinoline-8-sulfonamide?
The InChIKey is ZXBQGHTZZKZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)15-18(16,17)12-6-4-5-11-7-10(3)8-14-13(11)12/h4-9,15H,1-3H3.
What are the key properties of 3-methyl-N-propan-2-ylquinoline-8-sulfonamide?
3-methyl-N-propan-2-ylquinoline-8-sulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylquinoline-8-sulfonamide is sourced from PubChem (CID 60721828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).