5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid

C12H12BrNO5S2 — CID 62830397

IUPAC5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H12BrNO5S2/c1-2-14(7-8-4-3-5-20-8)21(17,18)10-6-9(12(15)16)19-11(10)13/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXRSMZYZZRHMFIW-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.01
Rot. Bonds6

About 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62830397) has the molecular formula C12H12BrNO5S2 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62830397
Molecular FormulaC12H12BrNO5S2
Molecular Weight394.27 g/mol
Exact Mass392.93
IUPAC Name5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H12BrNO5S2/c1-2-14(7-8-4-3-5-20-8)21(17,18)10-6-9(12(15)16)19-11(10)13/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXRSMZYZZRHMFIW-UHFFFAOYSA-N
XLogP3.01
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437971
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928
2-[5-[ethyl(thiophen-2-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 45298794
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
2,4,6-trichloro-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55870758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid (CID 62830397) is 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid is CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is XRSMZYZZRHMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO5S2/c1-2-14(7-8-4-3-5-20-8)21(17,18)10-6-9(12(15)16)19-11(10)13/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 394.27 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62830397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).