(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide

C16H22Cl2N4O6S2 — CID 159350159

IUPAC(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@@H]([C@@H](O)c1cccc(Cl)n1)S(N)(=O)=O.C[C@H]([C@H](O)c1cccc(Cl)n1)S(N)(=O)=O
InChIInChI=1S/2C8H11ClN2O3S/c2*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h2*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+/m10/s1
InChIKeyLHFKUFVEGNGCKO-UZICWCCFSA-N
MW501.41 g/mol
LogP0.89
Rot. Bonds6

About (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide

(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 159350159) has the molecular formula C16H22Cl2N4O6S2 and a molecular weight of 501.41 g/mol. Its IUPAC name is (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
PubChem CID159350159
Molecular FormulaC16H22Cl2N4O6S2
Molecular Weight501.41 g/mol
Exact Mass500.04
IUPAC Name(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
SMILESC[C@@H]([C@@H](O)c1cccc(Cl)n1)S(N)(=O)=O.C[C@H]([C@H](O)c1cccc(Cl)n1)S(N)(=O)=O
InChIInChI=1S/2C8H11ClN2O3S/c2*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h2*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+/m10/s1
InChIKeyLHFKUFVEGNGCKO-UZICWCCFSA-N
XLogP0.89
TPSA186.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.41
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (CID 159350159) is (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is C[C@@H]([C@@H](O)c1cccc(Cl)n1)S(N)(=O)=O.C[C@H]([C@H](O)c1cccc(Cl)n1)S(N)(=O)=O.
What is the InChIKey of (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is LHFKUFVEGNGCKO-UZICWCCFSA-N. The full InChI is InChI=1S/2C8H11ClN2O3S/c2*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h2*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+/m10/s1.
What are the key properties of (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
(1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 501.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide;(1R,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 159350159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).