1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide

C14H12FN5O2S — CID 75478023

IUPAC1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H12FN5O2S/c15-13-7-2-1-4-11(13)9-23(21,22)18-12-6-3-5-10(8-12)14-16-19-20-17-14/h1-8,18H,9H2,(H,16,17,19,20)
InChIKeyPHWOVDALKSDWKT-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide

1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 75478023) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide
PubChem CID75478023
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1F)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H12FN5O2S/c15-13-7-2-1-4-11(13)9-23(21,22)18-12-6-3-5-10(8-12)14-16-19-20-17-14/h1-8,18H,9H2,(H,16,17,19,20)
InChIKeyPHWOVDALKSDWKT-UHFFFAOYSA-N
XLogP1.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide (CID 75478023) is 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccccc1F)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is PHWOVDALKSDWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c15-13-7-2-1-4-11(13)9-23(21,22)18-12-6-3-5-10(8-12)14-16-19-20-17-14/h1-8,18H,9H2,(H,16,17,19,20).
What are the key properties of 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 75478023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).