1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole

C18H20ClN3O2S — CID 148988411

IUPAC1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H20ClN3O2S/c19-15-1-4-17(5-2-15)25(23,24)22-10-7-14-13-16(3-6-18(14)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2
InChIKeyPXFIIFISAGEPIK-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole

1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole (PubChem CID 148988411) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
PubChem CID148988411
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C18H20ClN3O2S/c19-15-1-4-17(5-2-15)25(23,24)22-10-7-14-13-16(3-6-18(14)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2
InChIKeyPXFIIFISAGEPIK-UHFFFAOYSA-N
XLogP2.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-[4-[1-(4-bromophenyl)sulfonyl-2,3-dihydroindol-5-yl]piperazin-1-yl]-2,2,2-trichloroethanone
CID 151564793
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
5-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 110714206
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
CID 10779793
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole (CID 148988411) is 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole is O=S(=O)(c1ccc(Cl)cc1)N1CCc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is PXFIIFISAGEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-15-1-4-17(5-2-15)25(23,24)22-10-7-14-13-16(3-6-18(14)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole?
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole has a molecular weight of 377.90 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 148988411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).