2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide

C12H19ClN4O3S — CID 106347072

IUPAC2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCCNc1ncc(S(=O)(=O)NC(C(N)=O)C(C)C)cc1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-4-15-12-9(13)5-8(6-16-12)21(19,20)17-10(7(2)3)11(14)18/h5-7,10,17H,4H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyWJHITGVMALXPDS-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.95
Rot. Bonds7

About 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide

2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (PubChem CID 106347072) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
PubChem CID106347072
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
SMILESCCNc1ncc(S(=O)(=O)NC(C(N)=O)C(C)C)cc1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-4-15-12-9(13)5-8(6-16-12)21(19,20)17-10(7(2)3)11(14)18/h5-7,10,17H,4H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyWJHITGVMALXPDS-UHFFFAOYSA-N
XLogP0.95
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]propanamide
CID 64607030
5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64601724
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
CID 106347089
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
5-chloro-6-(ethylamino)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64608903
2-[(2-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanamide
CID 106343791
5-chloro-6-(ethylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914138
2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106346146

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The IUPAC name of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide (CID 106347072) is 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The canonical SMILES for 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide is CCNc1ncc(S(=O)(=O)NC(C(N)=O)C(C)C)cc1Cl.
What is the InChIKey of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
The InChIKey is WJHITGVMALXPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-4-15-12-9(13)5-8(6-16-12)21(19,20)17-10(7(2)3)11(14)18/h5-7,10,17H,4H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide?
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide has a molecular weight of 334.83 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 106347072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).