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

C10H12BrNO4S2 — CID 60952478

IUPAC5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H12BrNO4S2/c1-12(5-6-2-3-6)18(15,16)8-4-7(10(13)14)17-9(8)11/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyLZRBUUBJCHDFDB-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.24
Rot. Bonds5

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

5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60952478) has the molecular formula C10H12BrNO4S2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID60952478
Molecular FormulaC10H12BrNO4S2
Molecular Weight354.25 g/mol
Exact Mass352.94
IUPAC Name5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H12BrNO4S2/c1-12(5-6-2-3-6)18(15,16)8-4-7(10(13)14)17-9(8)11/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyLZRBUUBJCHDFDB-UHFFFAOYSA-N
XLogP2.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329128
5-bromo-4-[3-methoxypropyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55140491
5-bromo-4-[methyl(3-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 43570048
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43269299
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
2-[cyclopropylmethyl-(2,5-dibromothiophen-3-yl)sulfonylamino]acetic acid
CID 43656251
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 60951459
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid (CID 60952478) is 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is CN(CC1CC1)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LZRBUUBJCHDFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S2/c1-12(5-6-2-3-6)18(15,16)8-4-7(10(13)14)17-9(8)11/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 354.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60952478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).