5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid

C12H11BrN2O5S — CID 81393153

IUPAC5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccccn1
InChIInChI=1S/C12H11BrN2O5S/c1-7(8-4-2-3-5-14-8)15-21(18,19)10-6-9(12(16)17)20-11(10)13/h2-7,15H,1H3,(H,16,17)/t7-/m0/s1
InChIKeyMDEALYPZLDUFGJ-ZETCQYMHSA-N
MW375.20 g/mol
LogP2.17
Rot. Bonds5

About 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 81393153) has the molecular formula C12H11BrN2O5S and a molecular weight of 375.20 g/mol. Its IUPAC name is 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID81393153
Molecular FormulaC12H11BrN2O5S
Molecular Weight375.20 g/mol
Exact Mass373.96
IUPAC Name5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccccn1
InChIInChI=1S/C12H11BrN2O5S/c1-7(8-4-2-3-5-14-8)15-21(18,19)10-6-9(12(16)17)20-11(10)13/h2-7,15H,1H3,(H,16,17)/t7-/m0/s1
InChIKeyMDEALYPZLDUFGJ-ZETCQYMHSA-N
XLogP2.17
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
1-methyl-4-(1-pyridin-2-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43420085
5-bromo-2-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 61299506
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid (CID 81393153) is 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid is C[C@H](NS(=O)(=O)c1cc(C(=O)O)oc1Br)c1ccccn1.
What is the InChIKey of 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is MDEALYPZLDUFGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11BrN2O5S/c1-7(8-4-2-3-5-14-8)15-21(18,19)10-6-9(12(16)17)20-11(10)13/h2-7,15H,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 375.20 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[(1S)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 81393153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).