1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide

C8H12BrNO4S — CID 90523810

IUPAC1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCCC(O)c1ccco1
InChIInChI=1S/C8H12BrNO4S/c9-6-15(12,13)10-4-3-7(11)8-2-1-5-14-8/h1-2,5,7,10-11H,3-4,6H2
InChIKeyZTCDRTQOKRYANW-UHFFFAOYSA-N
MW298.16 g/mol
LogP0.97
Rot. Bonds6

About 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide

1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide (PubChem CID 90523810) has the molecular formula C8H12BrNO4S and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
PubChem CID90523810
Molecular FormulaC8H12BrNO4S
Molecular Weight298.16 g/mol
Exact Mass296.97
IUPAC Name1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
SMILESO=S(=O)(CBr)NCCC(O)c1ccco1
InChIInChI=1S/C8H12BrNO4S/c9-6-15(12,13)10-4-3-7(11)8-2-1-5-14-8/h1-2,5,7,10-11H,3-4,6H2
InChIKeyZTCDRTQOKRYANW-UHFFFAOYSA-N
XLogP0.97
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenylethanesulfonamide
CID 90523818
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
1-bromo-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]methanesulfonamide
CID 122266102

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide (CID 90523810) is 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide is O=S(=O)(CBr)NCCC(O)c1ccco1.
What is the InChIKey of 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
The InChIKey is ZTCDRTQOKRYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO4S/c9-6-15(12,13)10-4-3-7(11)8-2-1-5-14-8/h1-2,5,7,10-11H,3-4,6H2.
What are the key properties of 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide?
1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide has a molecular weight of 298.16 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide is sourced from PubChem (CID 90523810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).