4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

C24H24N4O3S — CID 73347760

IUPAC4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1
InChIInChI=1S/C24H24N4O3S/c1-19-7-5-6-10-24(19)31-18-21-17-28(27-26-21)22-11-13-23(14-12-22)32(29,30)25-16-15-20-8-3-2-4-9-20/h2-14,17,25H,15-16,18H2,1H3
InChIKeyHVVQRSSFPZKKAG-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.68
Rot. Bonds9

About 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide

4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 73347760) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID73347760
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1
InChIInChI=1S/C24H24N4O3S/c1-19-7-5-6-10-24(19)31-18-21-17-28(27-26-21)22-11-13-23(14-12-22)32(29,30)25-16-15-20-8-3-2-4-9-20/h2-14,17,25H,15-16,18H2,1H3
InChIKeyHVVQRSSFPZKKAG-UHFFFAOYSA-N
XLogP3.68
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(Phenoxymethyl)triazol-1-yl]benzenesulfonamide
CID 129009671
4-[(1-Phenyltriazol-4-yl)methoxy]benzenesulfonamide
CID 129009672
4-[4-[(4-Methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide
CID 134146037
4-[2-[1-(2-Methoxyphenyl)triazol-4-yl]phenyl]sulfonylaniline
CID 129907810
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 25071014
4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577575
6,7-dimethoxy-2-[4-[4-[(4-methylphenoxy)methyl]triazol-1-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 90677214
4-[4-[(2-Oxochromen-7-yl)oxymethyl]triazol-1-yl]benzenesulfonamide
CID 122192679
4-[4-[(3-Methoxyphenoxy)methyl]triazol-1-yl]benzenesulfonamide
CID 134131865
4-[[1-(4-Fluorophenyl)triazol-4-yl]methoxy]benzenesulfonamide
CID 134136523
4-[[1-(3-Methoxyphenyl)triazol-4-yl]methoxy]benzenesulfonamide
CID 134139228

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide (CID 73347760) is 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is Cc1ccccc1OCc1cn(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)nn1.
What is the InChIKey of 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is HVVQRSSFPZKKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-19-7-5-6-10-24(19)31-18-21-17-28(27-26-21)22-11-13-23(14-12-22)32(29,30)25-16-15-20-8-3-2-4-9-20/h2-14,17,25H,15-16,18H2,1H3.
What are the key properties of 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide?
4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 448.55 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylphenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 73347760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).