5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide

C25H24ClFN4O3S — CID 44624457

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H24ClFN4O3S/c26-19-3-1-6-22(16-19)29-11-13-30(14-12-29)35(33,34)23-7-8-24-18(15-23)9-10-31(24)25(32)28-21-5-2-4-20(27)17-21/h1-8,15-17H,9-14H2,(H,28,32)
InChIKeyISLTZKFJNUHHLT-UHFFFAOYSA-N
MW515.01 g/mol
LogP4.58
Rot. Bonds4

About 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 44624457) has the molecular formula C25H24ClFN4O3S and a molecular weight of 515.01 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID44624457
Molecular FormulaC25H24ClFN4O3S
Molecular Weight515.01 g/mol
Exact Mass514.12
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H24ClFN4O3S/c26-19-3-1-6-22(16-19)29-11-13-30(14-12-29)35(33,34)23-7-8-24-18(15-23)9-10-31(24)25(32)28-21-5-2-4-20(27)17-21/h1-8,15-17H,9-14H2,(H,28,32)
InChIKeyISLTZKFJNUHHLT-UHFFFAOYSA-N
XLogP4.58
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.01
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide (CID 44624457) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is ISLTZKFJNUHHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O3S/c26-19-3-1-6-22(16-19)29-11-13-30(14-12-29)35(33,34)23-7-8-24-18(15-23)9-10-31(24)25(32)28-21-5-2-4-20(27)17-21/h1-8,15-17H,9-14H2,(H,28,32).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 515.01 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-fluorophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44624457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).