5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

C13H13BrN2O4S — CID 8003959

IUPAC5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13BrN2O4S/c1-8(16-13(17)11-6-7-12(14)20-11)9-2-4-10(5-3-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)/t8-/m1/s1
InChIKeyHIAKVJLZACZBMI-MRVPVSSYSA-N
MW373.23 g/mol
LogP2.18
Rot. Bonds4

About 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (PubChem CID 8003959) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
PubChem CID8003959
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Name5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H13BrN2O4S/c1-8(16-13(17)11-6-7-12(14)20-11)9-2-4-10(5-3-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)/t8-/m1/s1
InChIKeyHIAKVJLZACZBMI-MRVPVSSYSA-N
XLogP2.18
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709298
4-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-oxazole-5-carboxamide
CID 79489950
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
5-bromo-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 40713205
5-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 2594407
1-methyl-N-[1-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909788
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide (CID 8003959) is 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(Br)o1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is HIAKVJLZACZBMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-8(16-13(17)11-6-7-12(14)20-11)9-2-4-10(5-3-9)21(15,18)19/h2-8H,1H3,(H,16,17)(H2,15,18,19)/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 373.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 8003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).