N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide

C16H18N2O4S — CID 71693841

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-14-10-13(11-6-8-17-9-7-11)15(16(14)20)18-23(21,22)12-4-2-1-3-5-12/h1-9,13-16,18-20H,10H2/t13-,14-,15-,16-/m1/s1
InChIKeyQWUHEFWZNTXGGV-KLHDSHLOSA-N
MW334.40 g/mol
LogP0.64
Rot. Bonds4

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide (PubChem CID 71693841) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide
PubChem CID71693841
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-14-10-13(11-6-8-17-9-7-11)15(16(14)20)18-23(21,22)12-4-2-1-3-5-12/h1-9,13-16,18-20H,10H2/t13-,14-,15-,16-/m1/s1
InChIKeyQWUHEFWZNTXGGV-KLHDSHLOSA-N
XLogP0.64
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide (CID 71693841) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide is O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide?
The InChIKey is QWUHEFWZNTXGGV-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-14-10-13(11-6-8-17-9-7-11)15(16(14)20)18-23(21,22)12-4-2-1-3-5-12/h1-9,13-16,18-20H,10H2/t13-,14-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]benzenesulfonamide is sourced from PubChem (CID 71693841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).