6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole

C14H10ClFN2S — CID 146095453

IUPAC6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole
SMILESFc1cc(SCc2ccc3cn[nH]c3c2)ccc1Cl
InChIInChI=1S/C14H10ClFN2S/c15-12-4-3-11(6-13(12)16)19-8-9-1-2-10-7-17-18-14(10)5-9/h1-7H,8H2,(H,17,18)
InChIKeyYFPZXJNKVHMDJP-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.65
Rot. Bonds3

About 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole

6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole (PubChem CID 146095453) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole.

Molecular Properties

Compound Name6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole
PubChem CID146095453
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole
SMILESFc1cc(SCc2ccc3cn[nH]c3c2)ccc1Cl
InChIInChI=1S/C14H10ClFN2S/c15-12-4-3-11(6-13(12)16)19-8-9-1-2-10-7-17-18-14(10)5-9/h1-7H,8H2,(H,17,18)
InChIKeyYFPZXJNKVHMDJP-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole?
The IUPAC name of 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole (CID 146095453) is 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole.
What is the SMILES notation for 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole?
The canonical SMILES for 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole is Fc1cc(SCc2ccc3cn[nH]c3c2)ccc1Cl.
What is the InChIKey of 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole?
The InChIKey is YFPZXJNKVHMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-12-4-3-11(6-13(12)16)19-8-9-1-2-10-7-17-18-14(10)5-9/h1-7H,8H2,(H,17,18).
What are the key properties of 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole?
6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole has a molecular weight of 292.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-3-fluorophenyl)sulfanylmethyl]-1H-indazole is sourced from PubChem (CID 146095453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).