4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C14H12FN5O2S — CID 137499934

IUPAC4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H12FN5O2S/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(8-4-11)23(16,21)22/h1-8H,9H2,(H2,16,21,22)
InChIKeyYSPHTEPLAFCYBX-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide

4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499934) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID137499934
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H12FN5O2S/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(8-4-11)23(16,21)22/h1-8H,9H2,(H2,16,21,22)
InChIKeyYSPHTEPLAFCYBX-UHFFFAOYSA-N
XLogP1.17
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 137499934) is 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is YSPHTEPLAFCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-12-5-1-10(2-6-12)9-20-18-14(17-19-20)11-3-7-13(8-4-11)23(16,21)22/h1-8H,9H2,(H2,16,21,22).
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).