2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

C17H18N4O3S — CID 51320344

IUPAC2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-16-4-2-3-5-17(16)25(22,23)20-10-14-6-8-15(9-7-14)11-21-13-18-12-19-21/h2-9,12-13,20H,10-11H2,1H3
InChIKeyPKLBBVPZVIRXHZ-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.81
Rot. Bonds7

About 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 51320344) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID51320344
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H18N4O3S/c1-24-16-4-2-3-5-17(16)25(22,23)20-10-14-6-8-15(9-7-14)11-21-13-18-12-19-21/h2-9,12-13,20H,10-11H2,1H3
InChIKeyPKLBBVPZVIRXHZ-UHFFFAOYSA-N
XLogP1.81
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
(Z)-3-(2-methoxyphenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 98474952
3-chloro-4-fluoro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 51320337
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9165579
2-methoxy-N-[2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121177465
8-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-5-sulfonamide
CID 55913382
2,4,5-trimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 50842138
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141816
N-[[2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methyl]ethanesulfonamide
CID 47071885
[4-(1,2,4-triazol-1-ylmethyl)phenyl] methanesulfonate
CID 162357919

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 51320344) is 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PKLBBVPZVIRXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-24-16-4-2-3-5-17(16)25(22,23)20-10-14-6-8-15(9-7-14)11-21-13-18-12-19-21/h2-9,12-13,20H,10-11H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide?
2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 51320344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).