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

C11H16ClN3O3S — CID 49244592

IUPAC2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O3S/c1-8(2)5-14-11(16)7-15-19(17,18)9-3-4-10(12)13-6-9/h3-4,6,8,15H,5,7H2,1-2H3,(H,14,16)
InChIKeyAZTLCVJNDAYNKC-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.79
Rot. Bonds6

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

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 49244592) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID49244592
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O3S/c1-8(2)5-14-11(16)7-15-19(17,18)9-3-4-10(12)13-6-9/h3-4,6,8,15H,5,7H2,1-2H3,(H,14,16)
InChIKeyAZTLCVJNDAYNKC-UHFFFAOYSA-N
XLogP0.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.79
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-[(6-chloro-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664723
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 43401368
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 110301549

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide (CID 49244592) is 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is AZTLCVJNDAYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-8(2)5-14-11(16)7-15-19(17,18)9-3-4-10(12)13-6-9/h3-4,6,8,15H,5,7H2,1-2H3,(H,14,16).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 305.79 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 49244592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).