1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

C11H13BrClNO4S2 — CID 115433142

IUPAC1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCCC1
InChIInChI=1S/C11H13BrClNO4S2/c12-9-7(13)5-8(19-9)20(17,18)14-6-11(10(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeySKNYHDOWEWBSKY-UHFFFAOYSA-N
MW402.72 g/mol
LogP3.09
Rot. Bonds5

About 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433142) has the molecular formula C11H13BrClNO4S2 and a molecular weight of 402.72 g/mol. Its IUPAC name is 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433142
Molecular FormulaC11H13BrClNO4S2
Molecular Weight402.72 g/mol
Exact Mass400.92
IUPAC Name1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCCC1
InChIInChI=1S/C11H13BrClNO4S2/c12-9-7(13)5-8(19-9)20(17,18)14-6-11(10(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeySKNYHDOWEWBSKY-UHFFFAOYSA-N
XLogP3.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.72
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

5-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 115755592
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445482
(2S)-4-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934085
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
2-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 80577423
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
N-[2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 115685407
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795
5-bromo-4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)thiophene-2-sulfonamide
CID 80577895
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433142) is 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2cc(Cl)c(Br)s2)CCCC1.
What is the InChIKey of 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SKNYHDOWEWBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4S2/c12-9-7(13)5-8(19-9)20(17,18)14-6-11(10(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16).
What are the key properties of 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 402.72 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).