[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone

C20H21ClN2O3S — CID 22429127

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O3S/c21-16-6-8-18(9-7-16)27(25,26)20(10-11-20)19(24)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyNUUGNEPHTKVCDC-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.00
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 22429127) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID22429127
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O3S/c21-16-6-8-18(9-7-16)27(25,26)20(10-11-20)19(24)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyNUUGNEPHTKVCDC-UHFFFAOYSA-N
XLogP3.00
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2963778
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CID 4043438
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CID 4791754
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CID 6461689
CID 6461689
CID 7177745
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CID 9550802
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CID 9550803
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CID 9550804

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone (CID 22429127) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NUUGNEPHTKVCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c21-16-6-8-18(9-7-16)27(25,26)20(10-11-20)19(24)23-14-12-22(13-15-23)17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 404.92 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 22429127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).