6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide

C15H15N5O3S — CID 122150605

IUPAC6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)cn1
InChIInChI=1S/C15H15N5O3S/c1-23-15-6-5-14(9-17-15)24(21,22)19-8-12-3-2-4-13(7-12)20-11-16-10-18-20/h2-7,9-11,19H,8H2,1H3
InChIKeyONCBQMOIGHQAQW-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.15
Rot. Bonds6

About 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide

6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 122150605) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID122150605
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)cn1
InChIInChI=1S/C15H15N5O3S/c1-23-15-6-5-14(9-17-15)24(21,22)19-8-12-3-2-4-13(7-12)20-11-16-10-18-20/h2-7,9-11,19H,8H2,1H3
InChIKeyONCBQMOIGHQAQW-UHFFFAOYSA-N
XLogP1.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 56805967
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
2-(6-methyl-3-pyridinyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 167895237
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
1-amino-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119781695
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide (CID 122150605) is 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide is COc1ccc(S(=O)(=O)NCc2cccc(-n3cncn3)c2)cn1.
What is the InChIKey of 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is ONCBQMOIGHQAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-23-15-6-5-14(9-17-15)24(21,22)19-8-12-3-2-4-13(7-12)20-11-16-10-18-20/h2-7,9-11,19H,8H2,1H3.
What are the key properties of 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide?
6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122150605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).