4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid

C11H16BrNO6S2 — CID 43362638

IUPAC4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO6S2/c1-18-5-3-13(4-6-19-2)21(16,17)9-7-8(11(14)15)20-10(9)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyLFSAGYPBCGAXQP-UHFFFAOYSA-N
MW402.29 g/mol
LogP1.49
Rot. Bonds9

About 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid

4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid (PubChem CID 43362638) has the molecular formula C11H16BrNO6S2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
PubChem CID43362638
Molecular FormulaC11H16BrNO6S2
Molecular Weight402.29 g/mol
Exact Mass400.96
IUPAC Name4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO6S2/c1-18-5-3-13(4-6-19-2)21(16,17)9-7-8(11(14)15)20-10(9)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyLFSAGYPBCGAXQP-UHFFFAOYSA-N
XLogP1.49
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[2-methoxyethyl(2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950189
5-bromo-4-[3-methoxypropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55140491
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113468643
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
4-[2-methoxyethyl(propan-2-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 82948456
5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43570048
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
4-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618347

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid?
The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid (CID 43362638) is 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid.
What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid?
The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid is COCCN(CCOC)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid?
The InChIKey is LFSAGYPBCGAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO6S2/c1-18-5-3-13(4-6-19-2)21(16,17)9-7-8(11(14)15)20-10(9)12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid?
4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid has a molecular weight of 402.29 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)sulfamoyl]-5-bromothiophene-2-carboxylic acid is sourced from PubChem (CID 43362638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).