5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C20H14F3N5O2S — CID 175177926

IUPAC5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H14F3N5O2S/c21-20(22,23)17-10-9-14(13-5-2-1-3-6-13)12-18(17)31(29,30)26-16-8-4-7-15(11-16)19-24-27-28-25-19/h1-12,26H,(H,24,25,27,28)
InChIKeyFVIIMMDKJUBQQJ-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.35
Rot. Bonds5

About 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 175177926) has the molecular formula C20H14F3N5O2S and a molecular weight of 445.43 g/mol. Its IUPAC name is 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID175177926
Molecular FormulaC20H14F3N5O2S
Molecular Weight445.43 g/mol
Exact Mass445.08
IUPAC Name5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1C(F)(F)F
InChIInChI=1S/C20H14F3N5O2S/c21-20(22,23)17-10-9-14(13-5-2-1-3-6-13)12-18(17)31(29,30)26-16-8-4-7-15(11-16)19-24-27-28-25-19/h1-12,26H,(H,24,25,27,28)
InChIKeyFVIIMMDKJUBQQJ-UHFFFAOYSA-N
XLogP4.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
2-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720322
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
5-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 56942318
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)phenyl]-1-benzothiophene-2-sulfonamide
CID 56941162
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210
2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608500
2-[2-[2-(phenylsulfamoyl)-5-(2H-tetrazol-5-yl)phenyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 67671355

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 175177926) is 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1cc(-c2ccccc2)ccc1C(F)(F)F.
What is the InChIKey of 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FVIIMMDKJUBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S/c21-20(22,23)17-10-9-14(13-5-2-1-3-6-13)12-18(17)31(29,30)26-16-8-4-7-15(11-16)19-24-27-28-25-19/h1-12,26H,(H,24,25,27,28).
What are the key properties of 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 445.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[3-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 175177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).