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

C12H15Cl2NO4S2 — CID 61291837

IUPAC1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)c2cc(Cl)sc2Cl)(C(=O)O)C1
InChIInChI=1S/C12H15Cl2NO4S2/c1-7-3-2-4-12(6-7,11(16)17)15-21(18,19)8-5-9(13)20-10(8)14/h5,7,15H,2-4,6H2,1H3,(H,16,17)
InChIKeyCCWUHECXTFDXBA-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.37
Rot. Bonds4

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

1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61291837) has the molecular formula C12H15Cl2NO4S2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61291837
Molecular FormulaC12H15Cl2NO4S2
Molecular Weight372.30 g/mol
Exact Mass370.98
IUPAC Name1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)c2cc(Cl)sc2Cl)(C(=O)O)C1
InChIInChI=1S/C12H15Cl2NO4S2/c1-7-3-2-4-12(6-7,11(16)17)15-21(18,19)8-5-9(13)20-10(8)14/h5,7,15H,2-4,6H2,1H3,(H,16,17)
InChIKeyCCWUHECXTFDXBA-UHFFFAOYSA-N
XLogP3.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(thiophen-2-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61291839
2-[1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64671577
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61292019
3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid
CID 61455545
1-(tert-butylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82236337
N-[1-(bromomethyl)cyclohexyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114293762
2,5-dichloro-N-(1-cyanocyclopentyl)thiophene-3-sulfonamide
CID 60660889
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43238264
2,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]thiophene-3-sulfonamide
CID 104922455
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid (CID 61291837) is 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NS(=O)(=O)c2cc(Cl)sc2Cl)(C(=O)O)C1.
What is the InChIKey of 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is CCWUHECXTFDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S2/c1-7-3-2-4-12(6-7,11(16)17)15-21(18,19)8-5-9(13)20-10(8)14/h5,7,15H,2-4,6H2,1H3,(H,16,17).
What are the key properties of 1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid?
1-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 372.30 g/mol, XLogP of 3.37, 4 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]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).