(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide

C18H26Cl2N4O6S2 — CID 161413357

IUPAC(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@@H](c1ccc(Cl)cn1)[C@@H](C)S(N)(=O)=O.CO[C@H](c1ccc(Cl)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/2C9H13ClN2O3S/c2*1-6(16(11,13)14)9(15-2)8-4-3-7(10)5-12-8/h2*3-6,9H,1-2H3,(H2,11,13,14)/t2*6-,9-/m10/s1
InChIKeyVVTMEHUQGQAJSN-BSZLQLICSA-N
MW529.47 g/mol
LogP2.20
Rot. Bonds8

About (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide

(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide (PubChem CID 161413357) has the molecular formula C18H26Cl2N4O6S2 and a molecular weight of 529.47 g/mol. Its IUPAC name is (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
PubChem CID161413357
Molecular FormulaC18H26Cl2N4O6S2
Molecular Weight529.47 g/mol
Exact Mass528.07
IUPAC Name(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@@H](c1ccc(Cl)cn1)[C@@H](C)S(N)(=O)=O.CO[C@H](c1ccc(Cl)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/2C9H13ClN2O3S/c2*1-6(16(11,13)14)9(15-2)8-4-3-7(10)5-12-8/h2*3-6,9H,1-2H3,(H2,11,13,14)/t2*6-,9-/m10/s1
InChIKeyVVTMEHUQGQAJSN-BSZLQLICSA-N
XLogP2.20
TPSA164.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide with MolForge

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Related Compounds

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CID 158186309
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
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(1S,2R)-1-(5-chloro-2-pyridinyl)-N-[5-cyclobutyl-4-(4,6-dimethoxypyrimidin-5-yl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
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ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
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(2S,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2S,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3R)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide;(2R,3S)-3-(5-methoxypyrazin-2-yl)butane-2-sulfonamide
CID 159720315

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide (CID 161413357) is (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide is CO[C@@H](c1ccc(Cl)cn1)[C@@H](C)S(N)(=O)=O.CO[C@H](c1ccc(Cl)cn1)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide?
The InChIKey is VVTMEHUQGQAJSN-BSZLQLICSA-N. The full InChI is InChI=1S/2C9H13ClN2O3S/c2*1-6(16(11,13)14)9(15-2)8-4-3-7(10)5-12-8/h2*3-6,9H,1-2H3,(H2,11,13,14)/t2*6-,9-/m10/s1.
What are the key properties of (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide?
(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide has a molecular weight of 529.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 161413357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).