1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

C10H11BrClNO4S2 — CID 80578410

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H11BrClNO4S2/c11-9-6(12)5-8(18-9)19(16,17)13-4-2-1-3-7(13)10(14)15/h5,7H,1-4H2,(H,14,15)
InChIKeyIZRZKWCUACHFPA-UHFFFAOYSA-N
MW388.69 g/mol
LogP2.79
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid

1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 80578410) has the molecular formula C10H11BrClNO4S2 and a molecular weight of 388.69 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
PubChem CID80578410
Molecular FormulaC10H11BrClNO4S2
Molecular Weight388.69 g/mol
Exact Mass386.90
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H11BrClNO4S2/c11-9-6(12)5-8(18-9)19(16,17)13-4-2-1-3-7(13)10(14)15/h5,7H,1-4H2,(H,14,15)
InChIKeyIZRZKWCUACHFPA-UHFFFAOYSA-N
XLogP2.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.69
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-2-yl]propanoic acid
CID 80577299
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 80578541
(2S,4R)-1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 80577388
1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43084154
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazine-2-carboxamide
CID 80578005
1-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 80577652
3-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80577331
(2S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 80742224
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2-isocyanatopyrrolidine
CID 80578008
(2R)-1-(2,5-dibromothiophen-3-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923103
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid (CID 80578410) is 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is IZRZKWCUACHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO4S2/c11-9-6(12)5-8(18-9)19(16,17)13-4-2-1-3-7(13)10(14)15/h5,7H,1-4H2,(H,14,15).
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid?
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 388.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 80578410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).