3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole

C18H18ClN3O2S — CID 10177504

IUPAC3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H18ClN3O2S/c19-13-1-4-15(5-2-13)25(23,24)18-12-21-17-6-3-14(11-16(17)18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2
InChIKeyDFQRMJUQINQKIV-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.06
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole

3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole (PubChem CID 10177504) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
PubChem CID10177504
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
SMILESO=S(=O)(c1ccc(Cl)cc1)c1c[nH]c2ccc(N3CCNCC3)cc12
InChIInChI=1S/C18H18ClN3O2S/c19-13-1-4-15(5-2-13)25(23,24)18-12-21-17-6-3-14(11-16(17)18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2
InChIKeyDFQRMJUQINQKIV-UHFFFAOYSA-N
XLogP3.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_indol(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole (CID 10177504) is 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole is O=S(=O)(c1ccc(Cl)cc1)c1c[nH]c2ccc(N3CCNCC3)cc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
The InChIKey is DFQRMJUQINQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-13-1-4-15(5-2-13)25(23,24)18-12-21-17-6-3-14(11-16(17)18)22-9-7-20-8-10-22/h1-6,11-12,20-21H,7-10H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole?
3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole has a molecular weight of 375.88 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole is sourced from PubChem (CID 10177504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).