6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide

C13H17N3O4S — CID 133323846

IUPAC6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(C)(O)c2ccco2)nc1
InChIInChI=1S/C13H17N3O4S/c1-13(17,11-4-3-7-20-11)9-16-12-6-5-10(8-15-12)21(18,19)14-2/h3-8,14,17H,9H2,1-2H3,(H,15,16)
InChIKeyVIELDHGXAFJNAI-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.90
Rot. Bonds6

About 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide

6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide (PubChem CID 133323846) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
PubChem CID133323846
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(C)(O)c2ccco2)nc1
InChIInChI=1S/C13H17N3O4S/c1-13(17,11-4-3-7-20-11)9-16-12-6-5-10(8-15-12)21(18,19)14-2/h3-8,14,17H,9H2,1-2H3,(H,15,16)
InChIKeyVIELDHGXAFJNAI-UHFFFAOYSA-N
XLogP0.90
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 133323689
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
CID 122054001
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
2-[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137275509
[6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133323844
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 71782634
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-methylquinoline-8-sulfonamide
CID 97069680

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide (CID 133323846) is 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCC(C)(O)c2ccco2)nc1.
What is the InChIKey of 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide?
The InChIKey is VIELDHGXAFJNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(17,11-4-3-7-20-11)9-16-12-6-5-10(8-15-12)21(18,19)14-2/h3-8,14,17H,9H2,1-2H3,(H,15,16).
What are the key properties of 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide?
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide has a molecular weight of 311.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133323846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).