2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide

C21H18N4O2S — CID 166187504

IUPAC2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cnn(-c2ccccc2)n1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H18N4O2S/c26-28(27,21-14-8-7-13-20(21)17-9-3-1-4-10-17)23-16-18-15-22-25(24-18)19-11-5-2-6-12-19/h1-15,23H,16H2
InChIKeyTUEGBWKRLMHEHF-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.41
Rot. Bonds6

About 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide

2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide (PubChem CID 166187504) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide
PubChem CID166187504
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cnn(-c2ccccc2)n1)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H18N4O2S/c26-28(27,21-14-8-7-13-20(21)17-9-3-1-4-10-17)23-16-18-15-22-25(24-18)19-11-5-2-6-12-19/h1-15,23H,16H2
InChIKeyTUEGBWKRLMHEHF-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 71934163
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
N-(2-hydroxyethyl)-2-phenylbenzenesulfonamide
CID 154485495
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-2-amine
CID 115623247
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
2-phenyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 70080870
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
(2-phenyltriazol-4-yl)methyl methanesulfonate
CID 102620900
2-bromo-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774592
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide (CID 166187504) is 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cnn(-c2ccccc2)n1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is TUEGBWKRLMHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-28(27,21-14-8-7-13-20(21)17-9-3-1-4-10-17)23-16-18-15-22-25(24-18)19-11-5-2-6-12-19/h1-15,23H,16H2.
What are the key properties of 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide?
2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2-phenyltriazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 166187504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).