5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine

C14H18ClN5O3S — CID 129001445

IUPAC5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
SMILESCCn1cc(C2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)cn1
InChIInChI=1S/C14H18ClN5O3S/c1-2-19-8-10(6-18-19)12-9-20(3-4-23-12)24(21,22)13-5-11(15)7-17-14(13)16/h5-8,12H,2-4,9H2,1H3,(H2,16,17)
InChIKeyJXMBNMAGNWBZBP-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.30
Rot. Bonds4

About 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine

5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine (PubChem CID 129001445) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
PubChem CID129001445
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC Name5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
SMILESCCn1cc(C2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)cn1
InChIInChI=1S/C14H18ClN5O3S/c1-2-19-8-10(6-18-19)12-9-20(3-4-23-12)24(21,22)13-5-11(15)7-17-14(13)16/h5-8,12H,2-4,9H2,1H3,(H2,16,17)
InChIKeyJXMBNMAGNWBZBP-UHFFFAOYSA-N
XLogP1.30
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine (CID 129001445) is 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine is CCn1cc(C2CN(S(=O)(=O)c3cc(Cl)cnc3N)CCO2)cn1.
What is the InChIKey of 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine?
The InChIKey is JXMBNMAGNWBZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c1-2-19-8-10(6-18-19)12-9-20(3-4-23-12)24(21,22)13-5-11(15)7-17-14(13)16/h5-8,12H,2-4,9H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine?
5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine has a molecular weight of 371.85 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 129001445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).