[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone

C20H20ClN3O3S — CID 26263689

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20ClN3O3S/c1-22-14-18(17-4-2-3-5-19(17)22)20(25)23-10-12-24(13-11-23)28(26,27)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyDQUJJYZFAYADRG-UHFFFAOYSA-N
MW417.92 g/mol
LogP2.98
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 26263689) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID26263689
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20ClN3O3S/c1-22-14-18(17-4-2-3-5-19(17)22)20(25)23-10-12-24(13-11-23)28(26,27)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyDQUJJYZFAYADRG-UHFFFAOYSA-N
XLogP2.98
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone (CID 26263689) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is DQUJJYZFAYADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-22-14-18(17-4-2-3-5-19(17)22)20(25)23-10-12-24(13-11-23)28(26,27)16-8-6-15(21)7-9-16/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 417.92 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 26263689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).