2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide

C10H14ClN3O3S — CID 54895536

IUPAC2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-2-4-13-10(15)7-14-18(16,17)8-3-5-12-9(11)6-8/h3,5-6,14H,2,4,7H2,1H3,(H,13,15)
InChIKeyPOLVMVVMRHTGSX-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.54
Rot. Bonds6

About 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide

2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide (PubChem CID 54895536) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
PubChem CID54895536
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
SMILESCCCNC(=O)CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O3S/c1-2-4-13-10(15)7-14-18(16,17)8-3-5-12-9(11)6-8/h3,5-6,14H,2,4,7H2,1H3,(H,13,15)
InChIKeyPOLVMVVMRHTGSX-UHFFFAOYSA-N
XLogP0.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-N-propylacetamide
CID 64601463
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62152220
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-[(3,4-dichlorophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991491
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 82840554
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide (CID 54895536) is 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide is CCCNC(=O)CNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide?
The InChIKey is POLVMVVMRHTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-2-4-13-10(15)7-14-18(16,17)8-3-5-12-9(11)6-8/h3,5-6,14H,2,4,7H2,1H3,(H,13,15).
What are the key properties of 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide?
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide has a molecular weight of 291.76 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide is sourced from PubChem (CID 54895536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).