N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide

C14H10F3N5O2S — CID 16809066

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-9-1-4-11(5-2-9)25(23,24)18-8-14-19-20-21-22(14)10-3-6-12(16)13(17)7-10/h1-7,18H,8H2
InChIKeyKGELFDYDXALDGU-UHFFFAOYSA-N
MW369.33 g/mol
LogP1.56
Rot. Bonds5

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 16809066) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID16809066
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C14H10F3N5O2S/c15-9-1-4-11(5-2-9)25(23,24)18-8-14-19-20-21-22(14)10-3-6-12(16)13(17)7-10/h1-7,18H,8H2
InChIKeyKGELFDYDXALDGU-UHFFFAOYSA-N
XLogP1.56
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide (CID 16809066) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is KGELFDYDXALDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c15-9-1-4-11(5-2-9)25(23,24)18-8-14-19-20-21-22(14)10-3-6-12(16)13(17)7-10/h1-7,18H,8H2.
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16809066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).