5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide

C11H14ClN5O3S — CID 64602460

IUPAC5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2nc(C)no2)cc1Cl
InChIInChI=1S/C11H14ClN5O3S/c1-3-13-11-9(12)4-8(5-14-11)21(18,19)15-6-10-16-7(2)17-20-10/h4-5,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyZLZUGBSRZNISFM-UHFFFAOYSA-N
MW331.79 g/mol
LogP1.34
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64602460) has the molecular formula C11H14ClN5O3S and a molecular weight of 331.79 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
PubChem CID64602460
Molecular FormulaC11H14ClN5O3S
Molecular Weight331.79 g/mol
Exact Mass331.05
IUPAC Name5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2nc(C)no2)cc1Cl
InChIInChI=1S/C11H14ClN5O3S/c1-3-13-11-9(12)4-8(5-14-11)21(18,19)15-6-10-16-7(2)17-20-10/h4-5,15H,3,6H2,1-2H3,(H,13,14)
InChIKeyZLZUGBSRZNISFM-UHFFFAOYSA-N
XLogP1.34
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62178606
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796
5-chloro-6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 136574867
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-sulfonamide
CID 106407765
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61014864
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
CID 164635829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide (CID 64602460) is 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCc2nc(C)no2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is ZLZUGBSRZNISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O3S/c1-3-13-11-9(12)4-8(5-14-11)21(18,19)15-6-10-16-7(2)17-20-10/h4-5,15H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 331.79 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64602460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).