1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine

C11H16BrClN2O2S2 — CID 6735446

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C11H16BrClN2O2S2/c1-8(2)14-3-5-15(6-4-14)19(16,17)10-7-9(12)11(13)18-10/h7-8H,3-6H2,1-2H3
InChIKeyPUXNYNBMISNTGK-UHFFFAOYSA-N
MW387.75 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine

1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine (PubChem CID 6735446) has the molecular formula C11H16BrClN2O2S2 and a molecular weight of 387.75 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine
PubChem CID6735446
Molecular FormulaC11H16BrClN2O2S2
Molecular Weight387.75 g/mol
Exact Mass385.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(S(=O)(=O)c2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C11H16BrClN2O2S2/c1-8(2)14-3-5-15(6-4-14)19(16,17)10-7-9(12)11(13)18-10/h7-8H,3-6H2,1-2H3
InChIKeyPUXNYNBMISNTGK-UHFFFAOYSA-N
XLogP2.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 778335
CID 778335
CID 172435198
CID 172435198
CID 2741062
CID 2741062
CID 2741064
CID 2741064
CID 80132736
CID 80132736
CID 6735684
CID 6735684
CID 22772806
CID 22772806
CID 126479866
CID 126479866
CID 67000854
CID 67000854
CID 175794626
CID 175794626
CID 3855457
CID 3855457
CID 6468999
CID 6468999

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine (CID 6735446) is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine is CC(C)N1CCN(S(=O)(=O)c2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine?
The InChIKey is PUXNYNBMISNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O2S2/c1-8(2)14-3-5-15(6-4-14)19(16,17)10-7-9(12)11(13)18-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine?
1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine has a molecular weight of 387.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 6735446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).