5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

C12H16BrNO4S2 — CID 43362494

IUPAC5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCCCC1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H16BrNO4S2/c1-7-4-2-3-5-8(7)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyUHNGFCZIRXLRSS-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43362494) has the molecular formula C12H16BrNO4S2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43362494
Molecular FormulaC12H16BrNO4S2
Molecular Weight382.30 g/mol
Exact Mass380.97
IUPAC Name5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCCCC1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H16BrNO4S2/c1-7-4-2-3-5-8(7)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeyUHNGFCZIRXLRSS-UHFFFAOYSA-N
XLogP3.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.07
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
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
5-[(2-methylcyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63281765
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314452
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43362507
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43362494) is 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is CC1CCCCC1NS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UHNGFCZIRXLRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO4S2/c1-7-4-2-3-5-8(7)14-20(17,18)10-6-9(12(15)16)19-11(10)13/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 382.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43362494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).