6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide

C9H13ClN4O3S — CID 83023006

IUPAC6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NN2CCOCC2)cc1Cl
InChIInChI=1S/C9H13ClN4O3S/c10-8-5-7(6-12-9(8)11)18(15,16)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H2,11,12)
InChIKeyDEMSORWGCBHQSO-UHFFFAOYSA-N
MW292.75 g/mol
LogP-0.16
Rot. Bonds3

About 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide

6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide (PubChem CID 83023006) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
PubChem CID83023006
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NN2CCOCC2)cc1Cl
InChIInChI=1S/C9H13ClN4O3S/c10-8-5-7(6-12-9(8)11)18(15,16)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H2,11,12)
InChIKeyDEMSORWGCBHQSO-UHFFFAOYSA-N
XLogP-0.16
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide (CID 83023006) is 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NN2CCOCC2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
The InChIKey is DEMSORWGCBHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c10-8-5-7(6-12-9(8)11)18(15,16)13-14-1-3-17-4-2-14/h5-6,13H,1-4H2,(H2,11,12).
What are the key properties of 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide?
6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide has a molecular weight of 292.75 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-morpholin-4-ylpyridine-3-sulfonamide is sourced from PubChem (CID 83023006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).