2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide

C15H22N4O4S — CID 131938285

IUPAC2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C15H22N4O4S/c1-12-5-6-14(13(9-12)23-3)24(20,21)17-10-15-18-16-11-19(15)7-4-8-22-2/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeySAUQWXLBFPSLFP-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.11
Rot. Bonds9

About 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide

2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 131938285) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID131938285
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOCCCn1cnnc1CNS(=O)(=O)c1ccc(C)cc1OC
InChIInChI=1S/C15H22N4O4S/c1-12-5-6-14(13(9-12)23-3)24(20,21)17-10-15-18-16-11-19(15)7-4-8-22-2/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeySAUQWXLBFPSLFP-UHFFFAOYSA-N
XLogP1.11
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3,6-trimethylbenzenesulfonamide
CID 131951972
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
1-(4-fluorophenyl)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide
CID 131919964
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2-methoxy-4-methyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 172906645
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 72842483
5-bromo-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47158433
1-(2,5-dimethylphenyl)-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 78759462
2-methoxy-5-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401787
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 125154769
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide (CID 131938285) is 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide is COCCCn1cnnc1CNS(=O)(=O)c1ccc(C)cc1OC.
What is the InChIKey of 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is SAUQWXLBFPSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c1-12-5-6-14(13(9-12)23-3)24(20,21)17-10-15-18-16-11-19(15)7-4-8-22-2/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 131938285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).