N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide

C12H10FN5O2S2 — CID 16799324

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H10FN5O2S2/c13-9-3-5-10(6-4-9)18-11(15-16-17-18)8-14-22(19,20)12-2-1-7-21-12/h1-7,14H,8H2
InChIKeyYQZXLLCCOGCEDG-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.34
Rot. Bonds5

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 16799324) has the molecular formula C12H10FN5O2S2 and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID16799324
Molecular FormulaC12H10FN5O2S2
Molecular Weight339.38 g/mol
Exact Mass339.03
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C12H10FN5O2S2/c13-9-3-5-10(6-4-9)18-11(15-16-17-18)8-14-22(19,20)12-2-1-7-21-12/h1-7,14H,8H2
InChIKeyYQZXLLCCOGCEDG-UHFFFAOYSA-N
XLogP1.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide (CID 16799324) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is YQZXLLCCOGCEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O2S2/c13-9-3-5-10(6-4-9)18-11(15-16-17-18)8-14-22(19,20)12-2-1-7-21-12/h1-7,14H,8H2.
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16799324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).