5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide

C12H12ClN3O3S — CID 67982478

IUPAC5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cnc1-c1cccnc1OC
InChIInChI=1S/C12H12ClN3O3S/c1-14-20(17,18)10-6-8(13)7-16-11(10)9-4-3-5-15-12(9)19-2/h3-7,14H,1-2H3
InChIKeyBNHMXQDEYUVEIX-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.71
Rot. Bonds4

About 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide

5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide (PubChem CID 67982478) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
PubChem CID67982478
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cnc1-c1cccnc1OC
InChIInChI=1S/C12H12ClN3O3S/c1-14-20(17,18)10-6-8(13)7-16-11(10)9-4-3-5-15-12(9)19-2/h3-7,14H,1-2H3
InChIKeyBNHMXQDEYUVEIX-UHFFFAOYSA-N
XLogP1.71
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide (CID 67982478) is 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cc(Cl)cnc1-c1cccnc1OC.
What is the InChIKey of 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is BNHMXQDEYUVEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-14-20(17,18)10-6-8(13)7-16-11(10)9-4-3-5-15-12(9)19-2/h3-7,14H,1-2H3.
What are the key properties of 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide?
5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 313.77 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxy-3-pyridinyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 67982478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).