4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide

C15H15N5O3S — CID 51109070

IUPAC4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-23-13-4-6-14(7-5-13)24(21,22)19-15-17-11-20(18-15)10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyQMSBWEZUUOLGCM-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.53
Rot. Bonds6

About 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide

4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 51109070) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID51109070
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-23-13-4-6-14(7-5-13)24(21,22)19-15-17-11-20(18-15)10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyQMSBWEZUUOLGCM-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzenesulfonamide
CID 19581941
4-ethoxy-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772225
4-methoxy-N-[3-(3-pyridin-3-ylpropoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075922
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771721
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771811
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22771727
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 22772069
3-ethylsulfanyl-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 51101614
2-acetyl-N-(4-methoxyphenyl)sulfonyl-10-(pyridin-3-ylmethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155992309
N-[5-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075774
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide (CID 51109070) is 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncn(Cc3cccnc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is QMSBWEZUUOLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-23-13-4-6-14(7-5-13)24(21,22)19-15-17-11-20(18-15)10-12-3-2-8-16-9-12/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 51109070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).