1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine

C15H23ClN2O2S — CID 45369123

IUPAC1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
SMILESCCCCCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-2-3-6-9-17-10-12-18(13-11-17)21(19,20)15-8-5-4-7-14(15)16/h4-5,7-8H,2-3,6,9-13H2,1H3
InChIKeyYHJBSUKCUSFMPP-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.84
Rot. Bonds6

About 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine

1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine (PubChem CID 45369123) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
PubChem CID45369123
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
SMILESCCCCCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-2-3-6-9-17-10-12-18(13-11-17)21(19,20)15-8-5-4-7-14(15)16/h4-5,7-8H,2-3,6,9-13H2,1H3
InChIKeyYHJBSUKCUSFMPP-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfonyl-4-pentylpiperazine
CID 45369127
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
N-butyl-4-(2-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 8696519
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 55663484
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8693841
1-pentyl-4-(2-phenylethylsulfonyl)piperazine
CID 113075151
1-butyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 52526261
1-[3-(2-chlorophenyl)propyl]-4-propylsulfonylpiperazine
CID 110413794
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]ethyl]acetamide
CID 8754411
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986053

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine (CID 45369123) is 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine is CCCCCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine?
The InChIKey is YHJBSUKCUSFMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-2-3-6-9-17-10-12-18(13-11-17)21(19,20)15-8-5-4-7-14(15)16/h4-5,7-8H,2-3,6,9-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine has a molecular weight of 330.88 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine is sourced from PubChem (CID 45369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).