2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide

C12H13ClN4O2S — CID 75387420

IUPAC2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H13ClN4O2S/c1-2-17(10-4-3-5-15-8-10)20(18,19)11-6-9(13)7-16-12(11)14/h3-8H,2H2,1H3,(H2,14,16)
InChIKeyLIGQUIQCAVZVSD-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide

2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide (PubChem CID 75387420) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide
PubChem CID75387420
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide
SMILESCCN(c1cccnc1)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H13ClN4O2S/c1-2-17(10-4-3-5-15-8-10)20(18,19)11-6-9(13)7-16-12(11)14/h3-8H,2H2,1H3,(H2,14,16)
InChIKeyLIGQUIQCAVZVSD-UHFFFAOYSA-N
XLogP1.93
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide (CID 75387420) is 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide is CCN(c1cccnc1)S(=O)(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide?
The InChIKey is LIGQUIQCAVZVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-2-17(10-4-3-5-15-8-10)20(18,19)11-6-9(13)7-16-12(11)14/h3-8H,2H2,1H3,(H2,14,16).
What are the key properties of 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide?
2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-ethyl-N-pyridin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 75387420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).