N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine

C14H9ClF3N5O2S — CID 73295728

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine
SMILESO=S(=O)(c1ccc(Nc2nn[nH]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N5O2S/c15-12-6-5-10(7-11(12)14(16,17)18)26(24,25)9-3-1-8(2-4-9)19-13-20-22-23-21-13/h1-7H,(H2,19,20,21,22,23)
InChIKeyURTSUAFRXCZONN-UHFFFAOYSA-N
MW403.77 g/mol
LogP3.45
Rot. Bonds4

About N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine (PubChem CID 73295728) has the molecular formula C14H9ClF3N5O2S and a molecular weight of 403.77 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine
PubChem CID73295728
Molecular FormulaC14H9ClF3N5O2S
Molecular Weight403.77 g/mol
Exact Mass403.01
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine
SMILESO=S(=O)(c1ccc(Nc2nn[nH]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N5O2S/c15-12-6-5-10(7-11(12)14(16,17)18)26(24,25)9-3-1-8(2-4-9)19-13-20-22-23-21-13/h1-7H,(H2,19,20,21,22,23)
InChIKeyURTSUAFRXCZONN-UHFFFAOYSA-N
XLogP3.45
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine (CID 73295728) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine is O=S(=O)(c1ccc(Nc2nn[nH]n2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine?
The InChIKey is URTSUAFRXCZONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N5O2S/c15-12-6-5-10(7-11(12)14(16,17)18)26(24,25)9-3-1-8(2-4-9)19-13-20-22-23-21-13/h1-7H,(H2,19,20,21,22,23).
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine has a molecular weight of 403.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 73295728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).