5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide

C13H18ClN3O4S — CID 67126399

IUPAC5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC[C@@H]2CN(C3CC3)CCO2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O4S/c14-12-5-11(22(15,18)19)6-16-13(12)21-8-10-7-17(3-4-20-10)9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H2,15,18,19)/t10-/m0/s1
InChIKeyQEKMOUKXCJRFGY-JTQLQIEISA-N
MW347.82 g/mol
LogP0.62
Rot. Bonds5

About 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide

5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide (PubChem CID 67126399) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide
PubChem CID67126399
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc(OC[C@@H]2CN(C3CC3)CCO2)c(Cl)c1
InChIInChI=1S/C13H18ClN3O4S/c14-12-5-11(22(15,18)19)6-16-13(12)21-8-10-7-17(3-4-20-10)9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H2,15,18,19)/t10-/m0/s1
InChIKeyQEKMOUKXCJRFGY-JTQLQIEISA-N
XLogP0.62
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide (CID 67126399) is 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide is NS(=O)(=O)c1cnc(OC[C@@H]2CN(C3CC3)CCO2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide?
The InChIKey is QEKMOUKXCJRFGY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c14-12-5-11(22(15,18)19)6-16-13(12)21-8-10-7-17(3-4-20-10)9-1-2-9/h5-6,9-10H,1-4,7-8H2,(H2,15,18,19)/t10-/m0/s1.
What are the key properties of 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide?
5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide has a molecular weight of 347.82 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(2S)-4-cyclopropylmorpholin-2-yl]methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).