5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid

C10H8BrNO5S2 — CID 63247995

IUPAC5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccsc2)c(Br)o1
InChIInChI=1S/C10H8BrNO5S2/c11-9-8(3-7(17-9)10(13)14)19(15,16)12-4-6-1-2-18-5-6/h1-3,5,12H,4H2,(H,13,14)
InChIKeyDNGGSEDPOYLRMG-UHFFFAOYSA-N
MW366.21 g/mol
LogP2.28
Rot. Bonds5

About 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 63247995) has the molecular formula C10H8BrNO5S2 and a molecular weight of 366.21 g/mol. Its IUPAC name is 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID63247995
Molecular FormulaC10H8BrNO5S2
Molecular Weight366.21 g/mol
Exact Mass364.90
IUPAC Name5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccsc2)c(Br)o1
InChIInChI=1S/C10H8BrNO5S2/c11-9-8(3-7(17-9)10(13)14)19(15,16)12-4-6-1-2-18-5-6/h1-3,5,12H,4H2,(H,13,14)
InChIKeyDNGGSEDPOYLRMG-UHFFFAOYSA-N
XLogP2.28
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
3-methoxy-4-(thiophen-3-ylmethylsulfamoyl)benzoic acid
CID 102694888
5-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106394932
5-bromo-4-(2,2,3,3-tetrafluoropropylsulfamoyl)furan-2-carboxylic acid
CID 106290683
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
2-hydrazinyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 63244355
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 63247995) is 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccsc2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is DNGGSEDPOYLRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO5S2/c11-9-8(3-7(17-9)10(13)14)19(15,16)12-4-6-1-2-18-5-6/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 366.21 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 63247995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).