[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea

C16H23ClN4O4S — CID 9327013

IUPAC[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea
SMILESNC(=O)NCCCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN4O4S/c17-13-4-3-5-14(12-13)26(24,25)21-10-8-20(9-11-21)15(22)6-1-2-7-19-16(18)23/h3-5,12H,1-2,6-11H2,(H3,18,19,23)
InChIKeyFGWXYNMOTUFLDK-UHFFFAOYSA-N
MW402.90 g/mol
LogP1.01
Rot. Bonds7

About [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea

[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea (PubChem CID 9327013) has the molecular formula C16H23ClN4O4S and a molecular weight of 402.90 g/mol. Its IUPAC name is [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea.

Molecular Properties

Compound Name[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea
PubChem CID9327013
Molecular FormulaC16H23ClN4O4S
Molecular Weight402.90 g/mol
Exact Mass402.11
IUPAC Name[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea
SMILESNC(=O)NCCCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN4O4S/c17-13-4-3-5-14(12-13)26(24,25)21-10-8-20(9-11-21)15(22)6-1-2-7-19-16(18)23/h3-5,12H,1-2,6-11H2,(H3,18,19,23)
InChIKeyFGWXYNMOTUFLDK-UHFFFAOYSA-N
XLogP1.01
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 30485429
5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520724
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422603
4-(3-chlorophenyl)sulfonyl-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110811211
[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]urea
CID 9208338
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 17459924
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-4-(2,5-dimethylphenyl)butane-1,4-dione
CID 27562628
2-anilino-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119678883
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119678902
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 26204806
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55822268

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea?
The IUPAC name of [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea (CID 9327013) is [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea.
What is the SMILES notation for [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea?
The canonical SMILES for [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea is NC(=O)NCCCCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea?
The InChIKey is FGWXYNMOTUFLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O4S/c17-13-4-3-5-14(12-13)26(24,25)21-10-8-20(9-11-21)15(22)6-1-2-7-19-16(18)23/h3-5,12H,1-2,6-11H2,(H3,18,19,23).
What are the key properties of [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea?
[5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea has a molecular weight of 402.90 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-oxopentyl]urea is sourced from PubChem (CID 9327013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).