2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

C13H14BrNO4S — CID 71782634

IUPAC2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C13H14BrNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3
InChIKeyOFMMPODDMQTOSO-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.23
Rot. Bonds5

About 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide

2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 71782634) has the molecular formula C13H14BrNO4S and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
PubChem CID71782634
Molecular FormulaC13H14BrNO4S
Molecular Weight360.23 g/mol
Exact Mass358.98
IUPAC Name2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C13H14BrNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3
InChIKeyOFMMPODDMQTOSO-UHFFFAOYSA-N
XLogP2.23
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
1-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 121085981
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
CID 97069680
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-5-nitrobenzenesulfonamide
CID 121085993
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-bromobenzenesulfonamide
CID 97104734
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
5-bromo-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 95983656
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide (CID 71782634) is 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccccc1Br)c1ccco1.
What is the InChIKey of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is OFMMPODDMQTOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO4S/c1-13(16,12-7-4-8-19-12)9-15-20(17,18)11-6-3-2-5-10(11)14/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide?
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 360.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 71782634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).