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

C18H20ClN3O2S — CID 139271456

IUPAC1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H20ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2
InChIKeyNVDMRHTXBPUKIP-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.50
Rot. Bonds3

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

1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole (PubChem CID 139271456) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole
PubChem CID139271456
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H20ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2
InChIKeyNVDMRHTXBPUKIP-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole (CID 139271456) is 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole is O=S(=O)(c1cccc(Cl)c1)N1CCc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is NVDMRHTXBPUKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-14-3-1-4-15(13-14)25(23,24)22-10-7-16-17(5-2-6-18(16)22)21-11-8-20-9-12-21/h1-6,13,20H,7-12H2.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole?
1-(3-chlorophenyl)sulfonyl-4-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-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 139271456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).