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

C25H25ClN4O3S — CID 44624598

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H25ClN4O3S/c26-20-5-4-8-22(18-20)28-13-15-29(16-14-28)34(32,33)23-9-10-24-19(17-23)11-12-30(24)25(31)27-21-6-2-1-3-7-21/h1-10,17-18H,11-16H2,(H,27,31)
InChIKeyFRMOBERRSVGAKO-UHFFFAOYSA-N
MW497.02 g/mol
LogP4.45
Rot. Bonds4

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

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide (PubChem CID 44624598) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide
PubChem CID44624598
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C25H25ClN4O3S/c26-20-5-4-8-22(18-20)28-13-15-29(16-14-28)34(32,33)23-9-10-24-19(17-23)11-12-30(24)25(31)27-21-6-2-1-3-7-21/h1-10,17-18H,11-16H2,(H,27,31)
InChIKeyFRMOBERRSVGAKO-UHFFFAOYSA-N
XLogP4.45
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.02
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
JH-Lph45
CID 167713202
5-[4-(3-Chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 16007461
N~2~-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N~1~-(4-chlorobenzyl)glycinamide
CID 20856569
5-{[4-(3-Chlorophenyl)piperazin-1-YL]sulfonyl}-1-cyclopropanecarbonyl-2-methyl-2,3-dihydro-1H-indole
CID 20901635
1-(1-acetyl-2-methyl-indolin-5-yl)sulfonyl-N-(3-chlorophenyl)isonipecotamide
CID 20901880
1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 20901955
4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 24650532
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 27869546
1-[5-[4-(4-Chlorophenyl)piperazino]sulfonyl-2-methyl-indolin-1-yl]propan-1-one
CID 44182143
N-methyl-N-(2-phenylethyl)-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298306
N-hexyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298728

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide (CID 44624598) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccccc1)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is FRMOBERRSVGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c26-20-5-4-8-22(18-20)28-13-15-29(16-14-28)34(32,33)23-9-10-24-19(17-23)11-12-30(24)25(31)27-21-6-2-1-3-7-21/h1-10,17-18H,11-16H2,(H,27,31).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-phenyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 497.02 g/mol, XLogP of 4.45, 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-phenyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44624598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).