1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine

C18H23ClN2O2S2 — CID 4850106

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C18H23ClN2O2S2/c1-14(2)16-5-3-15(4-6-16)13-20-9-11-21(12-10-20)25(22,23)18-8-7-17(19)24-18/h3-8,14H,9-13H2,1-2H3
InChIKeyXTPSBZOPOKFFRD-UHFFFAOYSA-N
MW398.98 g/mol
LogP4.03
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine (PubChem CID 4850106) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
PubChem CID4850106
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine
SMILESCC(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C18H23ClN2O2S2/c1-14(2)16-5-3-15(4-6-16)13-20-9-11-21(12-10-20)25(22,23)18-8-7-17(19)24-18/h3-8,14H,9-13H2,1-2H3
InChIKeyXTPSBZOPOKFFRD-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-Chlorothiophen-2-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 1228698
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 2480643
4-Benzyl-1-[(5-chloro-2-thienyl)sulfonyl]piperidine
CID 2943089
1-Benzyl-4-[(2,5-dimethylthien-3-yl)sulfonyl]piperazine
CID 6603587
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
5-Methyl-2-{[4-benzylpiperazinyl]sulfonyl}thiophene
CID 2090982
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
5-Chloro-2-{[4-(2-phenylethyl)piperazinyl]sulfonyl}thiophene
CID 6464314
1-(2-Methylbenzyl)-4-(2-thienylsulfonyl)piperazine
CID 6464678
1-[(5-Chloro-2-thienyl)sulfonyl]-4-(2-methylbenzyl)piperazine
CID 6469560
4-Benzhydryl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2823166
5-chloro-N-(4-(3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-yl)thiophene-2-sulfonamide
CID 71792843

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine (CID 4850106) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine is CC(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
The InChIKey is XTPSBZOPOKFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S2/c1-14(2)16-5-3-15(4-6-16)13-20-9-11-21(12-10-20)25(22,23)18-8-7-17(19)24-18/h3-8,14H,9-13H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine has a molecular weight of 398.98 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-propan-2-ylphenyl)methyl]piperazine is sourced from PubChem (CID 4850106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).