3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

C24H19ClFN3O3S — CID 162678326

IUPAC3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H19ClFN3O3S/c25-21-4-2-1-3-19(21)23-20-10-5-15(24(30)27-17-11-12-33(31,32)14-17)13-22(20)29(28-23)18-8-6-16(26)7-9-18/h1-10,13,17H,11-12,14H2,(H,27,30)/t17-/m1/s1
InChIKeyIFTCYJWQHGBPGR-QGZVFWFLSA-N
MW483.95 g/mol
LogP4.40
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 162678326) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID162678326
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC Name3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H19ClFN3O3S/c25-21-4-2-1-3-19(21)23-20-10-5-15(24(30)27-17-11-12-33(31,32)14-17)13-22(20)29(28-23)18-8-6-16(26)7-9-18/h1-10,13,17H,11-12,14H2,(H,27,30)/t17-/m1/s1
InChIKeyIFTCYJWQHGBPGR-QGZVFWFLSA-N
XLogP4.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide with MolForge

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Related Compounds

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-N-cyclopropylsulfonylindazole-3,6-dicarboxamide
CID 118322352
US10947222, Example 41
CID 134521896
US10947222, Example 1
CID 134521913
US10947222, Example 47
CID 134521957
US11104690, Example 40
CID 134522042
US11104690, Example 86
CID 134522043
US11104690, Example 89
CID 134522045
US11104690, Example 60
CID 134522051
US11104690, Example 21
CID 134522059
US11104690, Example 117
CID 134522073
US11104690, Example 64
CID 134522116
US11104690, Example 166-A
CID 134522120

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 162678326) is 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is IFTCYJWQHGBPGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c25-21-4-2-1-3-19(21)23-20-10-5-15(24(30)27-17-11-12-33(31,32)14-17)13-22(20)29(28-23)18-8-6-16(26)7-9-18/h1-10,13,17H,11-12,14H2,(H,27,30)/t17-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).