8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide

C20H19N5O2S — CID 55913382

IUPAC8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c2cccnc12
InChIInChI=1S/C20H19N5O2S/c1-15-7-8-19(18-6-3-9-22-20(15)18)28(26,27)24-11-16-4-2-5-17(10-16)12-25-14-21-13-23-25/h2-10,13-14,24H,11-12H2,1H3
InChIKeyZZLBPBAZHLTAPK-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.66
Rot. Bonds6

About 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide

8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide (PubChem CID 55913382) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
PubChem CID55913382
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c2cccnc12
InChIInChI=1S/C20H19N5O2S/c1-15-7-8-19(18-6-3-9-22-20(15)18)28(26,27)24-11-16-4-2-5-17(10-16)12-25-14-21-13-23-25/h2-10,13-14,24H,11-12H2,1H3
InChIKeyZZLBPBAZHLTAPK-UHFFFAOYSA-N
XLogP2.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 75431705
3-[(4-tert-butylphenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55867467
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55914407
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 51320344
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide?
The IUPAC name of 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide (CID 55913382) is 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NCc2cccc(Cn3cncn3)c2)c2cccnc12.
What is the InChIKey of 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide?
The InChIKey is ZZLBPBAZHLTAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-15-7-8-19(18-6-3-9-22-20(15)18)28(26,27)24-11-16-4-2-5-17(10-16)12-25-14-21-13-23-25/h2-10,13-14,24H,11-12H2,1H3.
What are the key properties of 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide?
8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide is sourced from PubChem (CID 55913382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).