N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide

C9H12ClN3O3S — CID 26943001

IUPACN-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3O3S/c1-7(14)11-4-5-13-17(15,16)8-2-3-9(10)12-6-8/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyCUMAAQFGXKMZKR-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.15
Rot. Bonds5

About N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide

N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide (PubChem CID 26943001) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
PubChem CID26943001
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC NameN-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3O3S/c1-7(14)11-4-5-13-17(15,16)8-2-3-9(10)12-6-8/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyCUMAAQFGXKMZKR-UHFFFAOYSA-N
XLogP0.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.15
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

6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
ethyl 3-[(6-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 60730690
N-[2-(4-acetylpiperazin-1-yl)ethyl]-6-chloropyridine-3-sulfonamide
CID 55697943
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244592
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide (CID 26943001) is N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CUMAAQFGXKMZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-7(14)11-4-5-13-17(15,16)8-2-3-9(10)12-6-8/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide?
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide has a molecular weight of 277.73 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 26943001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).