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

C25H24Cl2N4O3S — CID 44624048

IUPACN-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H24Cl2N4O3S/c26-19-3-1-5-21(16-19)28-25(32)31-10-9-18-15-23(7-8-24(18)31)35(33,34)30-13-11-29(12-14-30)22-6-2-4-20(27)17-22/h1-8,15-17H,9-14H2,(H,28,32)
InChIKeyJGCNODSHPSHIKJ-UHFFFAOYSA-N
MW531.47 g/mol
LogP5.10
Rot. Bonds4

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

N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 44624048) has the molecular formula C25H24Cl2N4O3S and a molecular weight of 531.47 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID44624048
Molecular FormulaC25H24Cl2N4O3S
Molecular Weight531.47 g/mol
Exact Mass530.09
IUPAC NameN-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H24Cl2N4O3S/c26-19-3-1-5-21(16-19)28-25(32)31-10-9-18-15-23(7-8-24(18)31)35(33,34)30-13-11-29(12-14-30)22-6-2-4-20(27)17-22/h1-8,15-17H,9-14H2,(H,28,32)
InChIKeyJGCNODSHPSHIKJ-UHFFFAOYSA-N
XLogP5.10
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide (CID 44624048) is N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JGCNODSHPSHIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O3S/c26-19-3-1-5-21(16-19)28-25(32)31-10-9-18-15-23(7-8-24(18)31)35(33,34)30-13-11-29(12-14-30)22-6-2-4-20(27)17-22/h1-8,15-17H,9-14H2,(H,28,32).
What are the key properties of N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide?
N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 531.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44624048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).