2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

C14H10F3N5O2S — CID 25419429

IUPAC2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H10F3N5O2S/c1-22-14(18-20-21-22)8-3-2-4-9(7-8)19-25(23,24)11-6-5-10(15)12(16)13(11)17/h2-7,19H,1H3
InChIKeyQJBKCOGGPFRMDI-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.10
Rot. Bonds4

About 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide

2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 25419429) has the molecular formula C14H10F3N5O2S and a molecular weight of 369.33 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID25419429
Molecular FormulaC14H10F3N5O2S
Molecular Weight369.33 g/mol
Exact Mass369.05
IUPAC Name2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
SMILESCn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C14H10F3N5O2S/c1-22-14(18-20-21-22)8-3-2-4-9(7-8)19-25(23,24)11-6-5-10(15)12(16)13(11)17/h2-7,19H,1H3
InChIKeyQJBKCOGGPFRMDI-UHFFFAOYSA-N
XLogP2.10
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide (CID 25419429) is 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is QJBKCOGGPFRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2S/c1-22-14(18-20-21-22)8-3-2-4-9(7-8)19-25(23,24)11-6-5-10(15)12(16)13(11)17/h2-7,19H,1H3.
What are the key properties of 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide?
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 369.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25419429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).