5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C11H16BrNO4S2 — CID 43570048

IUPAC5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13(4)19(16,17)9-5-8(11(14)15)18-10(9)12/h5-7H,1-4H3,(H,14,15)
InChIKeyQTVWEGSEXKQCDO-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.87
Rot. Bonds5

About 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43570048) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43570048
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)C(C)N(C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13(4)19(16,17)9-5-8(11(14)15)18-10(9)12/h5-7H,1-4H3,(H,14,15)
InChIKeyQTVWEGSEXKQCDO-UHFFFAOYSA-N
XLogP2.87
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950189
4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
CID 43362638
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113468643
5-bromo-4-[3-methoxypropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55140491
4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid
CID 43173264
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
5-bromo-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60780487
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66089672
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 43570048) is 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)C(C)N(C)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QTVWEGSEXKQCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13(4)19(16,17)9-5-8(11(14)15)18-10(9)12/h5-7H,1-4H3,(H,14,15).
What are the key properties of 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 370.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43570048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).