1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

C11H13Cl2NO4S2 — CID 115433117

IUPAC1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCCC1
InChIInChI=1S/C11H13Cl2NO4S2/c12-8-5-7(9(13)19-8)20(17,18)14-6-11(10(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeyGSEVEWRKQZJWGE-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.98
Rot. Bonds5

About 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid

1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433117) has the molecular formula C11H13Cl2NO4S2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433117
Molecular FormulaC11H13Cl2NO4S2
Molecular Weight358.27 g/mol
Exact Mass356.97
IUPAC Name1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCCC1
InChIInChI=1S/C11H13Cl2NO4S2/c12-8-5-7(9(13)19-8)20(17,18)14-6-11(10(15)16)3-1-2-4-11/h5,14H,1-4,6H2,(H,15,16)
InChIKeyGSEVEWRKQZJWGE-UHFFFAOYSA-N
XLogP2.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 113295060
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
1-[[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433142
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445482
1-[[(4-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445500
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107959705
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 115433117) is 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2cc(Cl)sc2Cl)CCCC1.
What is the InChIKey of 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is GSEVEWRKQZJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S2/c12-8-5-7(9(13)19-8)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-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 358.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).