5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide

C10H11N3O4S — CID 114112495

IUPAC5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCc1ccncn1)c1ccc(CO)o1
InChIInChI=1S/C10H11N3O4S/c14-6-9-1-2-10(17-9)18(15,16)13-5-8-3-4-11-7-12-8/h1-4,7,13-14H,5-6H2
InChIKeyBZAQTXVOLRETPV-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.04
Rot. Bonds5

About 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide

5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide (PubChem CID 114112495) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide
PubChem CID114112495
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide
SMILESO=S(=O)(NCc1ccncn1)c1ccc(CO)o1
InChIInChI=1S/C10H11N3O4S/c14-6-9-1-2-10(17-9)18(15,16)13-5-8-3-4-11-7-12-8/h1-4,7,13-14H,5-6H2
InChIKeyBZAQTXVOLRETPV-UHFFFAOYSA-N
XLogP0.04
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(hydroxymethyl)-1-methyl-N-(pyrimidin-4-ylmethyl)pyrrole-3-sulfonamide
CID 106001980
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
5-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-sulfonamide
CID 114137289
5-chloro-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyridine-3-sulfonamide
CID 114111350
4-chloro-3-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092537
5-[(tert-butylamino)methyl]-N-(1,2-oxazol-3-ylmethyl)furan-2-sulfonamide
CID 81176972
5-(aminomethyl)-2-bromo-N-(pyrimidin-4-ylmethyl)benzenesulfonamide
CID 106092595
5-bromo-3-methyl-N-(pyrimidin-4-ylmethyl)triazole-4-sulfonamide
CID 114112066
5-[(propan-2-ylamino)methyl]-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092523
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 79253689

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide (CID 114112495) is 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide is O=S(=O)(NCc1ccncn1)c1ccc(CO)o1.
What is the InChIKey of 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide?
The InChIKey is BZAQTXVOLRETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c14-6-9-1-2-10(17-9)18(15,16)13-5-8-3-4-11-7-12-8/h1-4,7,13-14H,5-6H2.
What are the key properties of 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide?
5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(pyrimidin-4-ylmethyl)furan-2-sulfonamide is sourced from PubChem (CID 114112495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).