4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide

C14H10F3N5O2S — CID 57397474

IUPAC4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)10-3-1-9(2-4-10)13-19-20-21-22(13)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,18,23,24)
InChIKeyHDGAMZKNYZRNRU-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.00
Rot. Bonds3

About 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide

4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide (PubChem CID 57397474) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide
PubChem CID57397474
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-14(16,17)10-3-1-9(2-4-10)13-19-20-21-22(13)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,18,23,24)
InChIKeyHDGAMZKNYZRNRU-UHFFFAOYSA-N
XLogP2.00
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide (CID 57397474) is 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide?
The InChIKey is HDGAMZKNYZRNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-14(16,17)10-3-1-9(2-4-10)13-19-20-21-22(13)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,18,23,24).
What are the key properties of 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide?
4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(trifluoromethyl)phenyl]tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 57397474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).