1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

C12H19ClN2O4S3 — CID 6464993

IUPAC1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3
InChIKeyYYRNDAUXYYSXAI-UHFFFAOYSA-N
MW386.95 g/mol
LogP1.84
Rot. Bonds6

About 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine

1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (PubChem CID 6464993) has the molecular formula C12H19ClN2O4S3 and a molecular weight of 386.95 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
PubChem CID6464993
Molecular FormulaC12H19ClN2O4S3
Molecular Weight386.95 g/mol
Exact Mass386.02
IUPAC Name1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C12H19ClN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3
InChIKeyYYRNDAUXYYSXAI-UHFFFAOYSA-N
XLogP1.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Chloro-2-thienyl)sulfonyl]-4-methylpiperazine
CID 778335
2-Chloro-5-(piperidylsulfonyl)thiophene
CID 1541659
1-[(5-Chlorothien-2-yl)sulfonyl]piperazine
CID 3863656
[(5-Chloro(2-thienyl))sulfonyl](4-methylpiperazinyl)amine
CID 1236547
1-Ethyl-4-(2-thienylsulfonyl)piperazine
CID 703790
5-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-sulfonamide
CID 16302058
1-(5-Chlorothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6465014
1-[(5-Chlorothiophen-2-yl)sulfonyl]piperazine hydrochloride
CID 53444390
1-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 2566008
2-{[4-(Butylsulfonyl)piperazinyl]sulfonyl}thiophene
CID 6464966
3-[4-(5-Chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanenitrile
CID 9304441
1-((5-Chlorothiophen-2-yl)sulfonyl)-3-(cyclohexylsulfonyl)azetidine
CID 76148702

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine (CID 6464993) is 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
The InChIKey is YYRNDAUXYYSXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S3/c1-2-3-10-21(16,17)14-6-8-15(9-7-14)22(18,19)12-5-4-11(13)20-12/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine?
1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine has a molecular weight of 386.95 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 6464993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).