N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide

C10H13Cl2N3O3S — CID 110309462

IUPACN-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N3O3S/c1-7(16)13-3-2-4-15-19(17,18)8-5-9(11)10(12)14-6-8/h5-6,15H,2-4H2,1H3,(H,13,16)
InChIKeyCYPDMRCRUXMRGS-UHFFFAOYSA-N
MW326.21 g/mol
LogP1.19
Rot. Bonds6

About N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide

N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide (PubChem CID 110309462) has the molecular formula C10H13Cl2N3O3S and a molecular weight of 326.21 g/mol. Its IUPAC name is N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
PubChem CID110309462
Molecular FormulaC10H13Cl2N3O3S
Molecular Weight326.21 g/mol
Exact Mass325.01
IUPAC NameN-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
SMILESCC(=O)NCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N3O3S/c1-7(16)13-3-2-4-15-19(17,18)8-5-9(11)10(12)14-6-8/h5-6,15H,2-4H2,1H3,(H,13,16)
InChIKeyCYPDMRCRUXMRGS-UHFFFAOYSA-N
XLogP1.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115641392
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
5,6-dichloro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
CID 64608986
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide?
The IUPAC name of N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide (CID 110309462) is N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide is CC(=O)NCCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide?
The InChIKey is CYPDMRCRUXMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O3S/c1-7(16)13-3-2-4-15-19(17,18)8-5-9(11)10(12)14-6-8/h5-6,15H,2-4H2,1H3,(H,13,16).
What are the key properties of N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide?
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide has a molecular weight of 326.21 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide is sourced from PubChem (CID 110309462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).