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

C12H19ClN4O3S — CID 64601463

IUPAC2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C12H19ClN4O3S/c1-3-5-15-11(18)8-17-21(19,20)9-6-10(13)12(14-4-2)16-7-9/h6-7,17H,3-5,8H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyUUOCBSUNVSYASJ-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.97
Rot. Bonds8

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

2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide (PubChem CID 64601463) 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]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
PubChem CID64601463
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1cnc(NCC)c(Cl)c1
InChIInChI=1S/C12H19ClN4O3S/c1-3-5-15-11(18)8-17-21(19,20)9-6-10(13)12(14-4-2)16-7-9/h6-7,17H,3-5,8H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyUUOCBSUNVSYASJ-UHFFFAOYSA-N
XLogP0.97
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 102756189
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 65236588
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658
5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide (CID 64601463) is 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1cnc(NCC)c(Cl)c1.
What is the InChIKey of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide?
The InChIKey is UUOCBSUNVSYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-3-5-15-11(18)8-17-21(19,20)9-6-10(13)12(14-4-2)16-7-9/h6-7,17H,3-5,8H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide?
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide has a molecular weight of 334.83 g/mol, XLogP of 0.97, 8 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]-N-propylacetamide is sourced from PubChem (CID 64601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).