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

C32H44Cl4N8O12S4 — CID 161364147

IUPAC(1R,2S)-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;(1S,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.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
InChIInChI=1S/4C8H11ClN2O3S/c4*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h4*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+;2*5-,8-/m1010/s1
InChIKeyVPOYQEGFPAOXMQ-XKYMAXQZSA-N
MW1002.83 g/mol
LogP1.78
Rot. Bonds12

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

(1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (PubChem CID 161364147) has the molecular formula C32H44Cl4N8O12S4 and a molecular weight of 1002.83 g/mol. Its IUPAC name is (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
PubChem CID161364147
Molecular FormulaC32H44Cl4N8O12S4
Molecular Weight1002.83 g/mol
Exact Mass1000.07
IUPAC Name(1R,2S)-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;(1S,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.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
InChIInChI=1S/4C8H11ClN2O3S/c4*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h4*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+;2*5-,8-/m1010/s1
InChIKeyVPOYQEGFPAOXMQ-XKYMAXQZSA-N
XLogP1.78
TPSA373.12 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001002.83
LogP ≤ 51.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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 (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The IUPAC name of (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide (CID 161364147) is (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for (1R,2S)-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;(1S,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.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 (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
The InChIKey is VPOYQEGFPAOXMQ-XKYMAXQZSA-N. The full InChI is InChI=1S/4C8H11ClN2O3S/c4*1-5(15(10,13)14)8(12)6-3-2-4-7(9)11-6/h4*2-5,8,12H,1H3,(H2,10,13,14)/t2*5-,8+;2*5-,8-/m1010/s1.
What are the key properties of (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide?
(1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide has a molecular weight of 1002.83 g/mol, XLogP of 1.78, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-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;(1S,2R)-1-(6-chloro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 161364147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).