4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

C19H22N4O3S — CID 60534452

IUPAC4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-27(24,25)14-9-10-17(26-4)13(3)11-14/h5-12,23H,1-4H3,(H,20,21,22)
InChIKeyZFSYTWCDBFTLEY-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.71
Rot. Bonds6

About 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 60534452) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID60534452
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1C
InChIInChI=1S/C19H22N4O3S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-27(24,25)14-9-10-17(26-4)13(3)11-14/h5-12,23H,1-4H3,(H,20,21,22)
InChIKeyZFSYTWCDBFTLEY-UHFFFAOYSA-N
XLogP3.71
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 55901351
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 40607885
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
4-(phenylsulfamoyl)-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 47068379
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
N-(1H-indol-7-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110867586
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051
8-fluoro-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]quinoline-5-sulfonamide
CID 60534420
4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093827

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 60534452) is 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is ZFSYTWCDBFTLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(2)18-20-19(22-21-18)15-7-5-6-8-16(15)23-27(24,25)14-9-10-17(26-4)13(3)11-14/h5-12,23H,1-4H3,(H,20,21,22).
What are the key properties of 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 60534452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).