1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide

C9H11BrClN3O3S2 — CID 80578005

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClN3O3S2/c10-8-5(11)3-7(18-8)19(16,17)14-2-1-13-4-6(14)9(12)15/h3,6,13H,1-2,4H2,(H2,12,15)
InChIKeyQVWQJXSMUBZVSJ-UHFFFAOYSA-N
MW388.70 g/mol
LogP0.61
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide

1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide (PubChem CID 80578005) has the molecular formula C9H11BrClN3O3S2 and a molecular weight of 388.70 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide
PubChem CID80578005
Molecular FormulaC9H11BrClN3O3S2
Molecular Weight388.70 g/mol
Exact Mass386.91
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H11BrClN3O3S2/c10-8-5(11)3-7(18-8)19(16,17)14-2-1-13-4-6(14)9(12)15/h3,6,13H,1-2,4H2,(H2,12,15)
InChIKeyQVWQJXSMUBZVSJ-UHFFFAOYSA-N
XLogP0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 80578410
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422
(2S,4R)-1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 80577388
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 80578541
5-bromo-4-chloro-N-[(3R)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 80577813
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-isocyanatopyrrolidine
CID 80578008
1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
CID 79997413
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetic acid
CID 80577643
3-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]propanoic acid
CID 80577299
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide (CID 80578005) is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide is NC(=O)C1CNCCN1S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide?
The InChIKey is QVWQJXSMUBZVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O3S2/c10-8-5(11)3-7(18-8)19(16,17)14-2-1-13-4-6(14)9(12)15/h3,6,13H,1-2,4H2,(H2,12,15).
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide?
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide has a molecular weight of 388.70 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 80578005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).