1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine

C18H28ClN3O2S — CID 1151844

IUPAC1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3O2S/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18/h3-6,17H,2,7-15H2,1H3
InChIKeyMXBXTSWTXIQPJA-UHFFFAOYSA-N
MW385.96 g/mol
LogP2.52
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine

1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine (PubChem CID 1151844) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine
PubChem CID1151844
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine
SMILESCCCN1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3O2S/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18/h3-6,17H,2,7-15H2,1H3
InChIKeyMXBXTSWTXIQPJA-UHFFFAOYSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-cyclopropyl-N-piperidin-4-ylbenzenesulfonamide
CID 2735724
1-[1-(2,4-Dichlorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 146627877
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
4-Chloro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzenesulfonamide
CID 1129292
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
4-Chloro-N-(4-methyl-piperazin-1-yl)-benzenesulfonamide
CID 785891
4-chloro-N-[1-(dipropylamino)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314574
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-chlorobenzenesulfonamide
CID 16289690
1-(4-Chlorophenylsulfonyl)-4-methylpiperidine
CID 310129
Rac-(cis)-1-(4-chlorophenylsulfonyl)-2,6-dimethylpiperidine
CID 822847
3,4-dichloro-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10715573
(1S,4S)-2-(4-chlorophenylsulfonyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 25192963

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine (CID 1151844) is 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine is CCCN1CCC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine?
The InChIKey is MXBXTSWTXIQPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2S/c1-2-9-20-10-7-17(8-11-20)21-12-14-22(15-13-21)25(23,24)18-5-3-16(19)4-6-18/h3-6,17H,2,7-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine?
1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine has a molecular weight of 385.96 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-(1-propylpiperidin-4-yl)piperazine is sourced from PubChem (CID 1151844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).