4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide

C9H14N2O3S — CID 140565025

IUPAC4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide
SMILESCC(CC(O)c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7(15(10,13)14)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6H2,1H3,(H2,10,13,14)
InChIKeyPFBVNQFUWROZEU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.18
Rot. Bonds4

About 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide

4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide (PubChem CID 140565025) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide
PubChem CID140565025
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide
SMILESCC(CC(O)c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C9H14N2O3S/c1-7(15(10,13)14)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6H2,1H3,(H2,10,13,14)
InChIKeyPFBVNQFUWROZEU-UHFFFAOYSA-N
XLogP0.18
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
1-methylsulfonyl-3-pyridin-2-ylbutan-2-amine
CID 66448366
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
2-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82280795
lithium 2-pyridin-2-ylpropanoate
CID 175058549
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
phenyl(pyridin-2-yl)methanesulfonamide
CID 62085635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide?
The IUPAC name of 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide (CID 140565025) is 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide.
What is the SMILES notation for 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide?
The canonical SMILES for 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide is CC(CC(O)c1ccccn1)S(N)(=O)=O.
What is the InChIKey of 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide?
The InChIKey is PFBVNQFUWROZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-7(15(10,13)14)6-9(12)8-4-2-3-5-11-8/h2-5,7,9,12H,6H2,1H3,(H2,10,13,14).
What are the key properties of 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide?
4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-pyridin-2-ylbutane-2-sulfonamide is sourced from PubChem (CID 140565025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).