N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine

C14H10FN3O2S2 — CID 73296374

IUPACN-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C14H10FN3O2S2/c15-10-1-5-12(6-2-10)22(19,20)13-7-3-11(4-8-13)17-14-18-16-9-21-14/h1-9H,(H,17,18)
InChIKeyJJBRYZUGWJJTPU-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.25
Rot. Bonds4

About N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine

N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 73296374) has the molecular formula C14H10FN3O2S2 and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
PubChem CID73296374
Molecular FormulaC14H10FN3O2S2
Molecular Weight335.39 g/mol
Exact Mass335.02
IUPAC NameN-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Nc2nncs2)cc1
InChIInChI=1S/C14H10FN3O2S2/c15-10-1-5-12(6-2-10)22(19,20)13-7-3-11(4-8-13)17-14-18-16-9-21-14/h1-9H,(H,17,18)
InChIKeyJJBRYZUGWJJTPU-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine (CID 73296374) is N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine is O=S(=O)(c1ccc(F)cc1)c1ccc(Nc2nncs2)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JJBRYZUGWJJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S2/c15-10-1-5-12(6-2-10)22(19,20)13-7-3-11(4-8-13)17-14-18-16-9-21-14/h1-9H,(H,17,18).
What are the key properties of N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 335.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)sulfonylphenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 73296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).