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

C13H8F3N5O2S — CID 2451006

IUPAC2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N5O2S/c14-10-5-6-11(13(16)12(10)15)24(22,23)18-8-1-3-9(4-2-8)21-7-17-19-20-21/h1-7,18H
InChIKeyNULRYQHDAKPZJA-UHFFFAOYSA-N
MW355.30 g/mol
LogP1.88
Rot. Bonds4

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

2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 2451006) has the molecular formula C13H8F3N5O2S and a molecular weight of 355.30 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID2451006
Molecular FormulaC13H8F3N5O2S
Molecular Weight355.30 g/mol
Exact Mass355.04
IUPAC Name2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H8F3N5O2S/c14-10-5-6-11(13(16)12(10)15)24(22,23)18-8-1-3-9(4-2-8)21-7-17-19-20-21/h1-7,18H
InChIKeyNULRYQHDAKPZJA-UHFFFAOYSA-N
XLogP1.88
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 51.88
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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Related Compounds

3-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
CID 2316579
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 802147
4-chloro-N-[4-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7510387
N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
CID 8189722
4-methyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189723
2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189735
N-Cyclohexyl-N-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 644481
N,N-Dicyclohexyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650971
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 4795468
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
N-[3-(1H-tetrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 7711061
N-Phenethyl-4-tetrazol-1-yl-benzenesulfonamide
CID 24793339

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 2451006) is 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is NULRYQHDAKPZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O2S/c14-10-5-6-11(13(16)12(10)15)24(22,23)18-8-1-3-9(4-2-8)21-7-17-19-20-21/h1-7,18H.
What are the key properties of 2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 355.30 g/mol, XLogP of 1.88, 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-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2451006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).