4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C12H10BrNO5S — CID 62803058

IUPAC4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyDYZYZYFAPJCBOC-UHFFFAOYSA-N
MW360.19 g/mol
LogP2.85
Rot. Bonds4

About 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62803058) has the molecular formula C12H10BrNO5S and a molecular weight of 360.19 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62803058
Molecular FormulaC12H10BrNO5S
Molecular Weight360.19 g/mol
Exact Mass358.95
IUPAC Name4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyDYZYZYFAPJCBOC-UHFFFAOYSA-N
XLogP2.85
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867044
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
3-[(4-bromophenyl)sulfamoyl]-2-methylbenzoic acid
CID 63743640
4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867043
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62803058) is 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is DYZYZYFAPJCBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-4-2-8(13)3-5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 360.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).