4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

C13H19NO4S2 — CID 63993923

IUPAC4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2csc(C(=O)O)c2)C(C)C1
InChIInChI=1S/C13H19NO4S2/c1-8-3-4-11(9(2)5-8)14-20(17,18)10-6-12(13(15)16)19-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyWXPXRZXBZVCOFN-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.55
Rot. Bonds4

About 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63993923) has the molecular formula C13H19NO4S2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63993923
Molecular FormulaC13H19NO4S2
Molecular Weight317.43 g/mol
Exact Mass317.08
IUPAC Name4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2csc(C(=O)O)c2)C(C)C1
InChIInChI=1S/C13H19NO4S2/c1-8-3-4-11(9(2)5-8)14-20(17,18)10-6-12(13(15)16)19-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyWXPXRZXBZVCOFN-UHFFFAOYSA-N
XLogP2.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993731
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 114628940
4-[(1,1-dioxothian-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617641
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
4-[[1-(hydroxymethyl)-4-methylcyclohexyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63618172
4-[(2-oxooxolan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 65416177
4-(oxan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 55248976
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836
4-[(2,2-dimethyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83028070
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 63997168

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63993923) is 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is CC1CCC(NS(=O)(=O)c2csc(C(=O)O)c2)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WXPXRZXBZVCOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S2/c1-8-3-4-11(9(2)5-8)14-20(17,18)10-6-12(13(15)16)19-7-10/h6-9,11,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63993923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).