3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C22H17ClFN3O3S2 — CID 10323269

IUPAC3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C22H17ClFN3O3S2/c1-12-17(9-14(10-18(12)24)22(28)26-16-3-4-16)13-2-5-19-15(8-13)11-25-27(19)32(29,30)21-7-6-20(23)31-21/h2,5-11,16H,3-4H2,1H3,(H,26,28)
InChIKeyFOMFZXYSLLFJRP-UHFFFAOYSA-N
MW489.98 g/mol
LogP4.99
Rot. Bonds5

About 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 10323269) has the molecular formula C22H17ClFN3O3S2 and a molecular weight of 489.98 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID10323269
Molecular FormulaC22H17ClFN3O3S2
Molecular Weight489.98 g/mol
Exact Mass489.04
IUPAC Name3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C22H17ClFN3O3S2/c1-12-17(9-14(10-18(12)24)22(28)26-16-3-4-16)13-2-5-19-15(8-13)11-25-27(19)32(29,30)21-7-6-20(23)31-21/h2,5-11,16H,3-4H2,1H3,(H,26,28)
InChIKeyFOMFZXYSLLFJRP-UHFFFAOYSA-N
XLogP4.99
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 10323269) is 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2S(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is FOMFZXYSLLFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O3S2/c1-12-17(9-14(10-18(12)24)22(28)26-16-3-4-16)13-2-5-19-15(8-13)11-25-27(19)32(29,30)21-7-6-20(23)31-21/h2,5-11,16H,3-4H2,1H3,(H,26,28).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 489.98 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 10323269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).