N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide

C22H20N4O2S — CID 73350882

IUPACN-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H20N4O2S/c27-29(28,23-16-15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)26-17-22(24-25-26)19-9-5-2-6-10-19/h1-14,17,23H,15-16H2
InChIKeyIJTGVIXDQRDGIZ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.46
Rot. Bonds7

About N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide

N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide (PubChem CID 73350882) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide
PubChem CID73350882
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H20N4O2S/c27-29(28,23-16-15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)26-17-22(24-25-26)19-9-5-2-6-10-19/h1-14,17,23H,15-16H2
InChIKeyIJTGVIXDQRDGIZ-UHFFFAOYSA-N
XLogP3.46
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Anilinomethyl)triazol-1-yl]benzenesulfonamide
CID 134131659
4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577800
4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzenesulfonamide
CID 86305771
2-phenyl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzenesulfonamide
CID 86305818
2-phenyl-N-[8-(4-pyridin-3-yltriazol-1-yl)octyl]benzenesulfonamide
CID 86306021
3-(4-butyltriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 122455390
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 5497333
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 5508897
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
1-(4-Methanesulfonylphenyl)-5-phenyl-1H-[1,2,3]triazole
CID 21859783

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide (CID 73350882) is N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide?
The InChIKey is IJTGVIXDQRDGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c27-29(28,23-16-15-18-7-3-1-4-8-18)21-13-11-20(12-14-21)26-17-22(24-25-26)19-9-5-2-6-10-19/h1-14,17,23H,15-16H2.
What are the key properties of N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide?
N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide has a molecular weight of 404.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 73350882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).