2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide

C12H17Cl2N3O3S — CID 64607430

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-7(2)4-10(12(18)15-3)17-21(19,20)8-5-9(13)11(14)16-6-8/h5-7,10,17H,4H2,1-3H3,(H,15,18)
InChIKeyXADPRCZXJMQSOB-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.83
Rot. Bonds6

About 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide

2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide (PubChem CID 64607430) has the molecular formula C12H17Cl2N3O3S and a molecular weight of 354.26 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
PubChem CID64607430
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.26 g/mol
Exact Mass353.04
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N3O3S/c1-7(2)4-10(12(18)15-3)17-21(19,20)8-5-9(13)11(14)16-6-8/h5-7,10,17H,4H2,1-3H3,(H,15,18)
InChIKeyXADPRCZXJMQSOB-UHFFFAOYSA-N
XLogP1.83
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.83
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

5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
CID 64608618
5,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 64608220
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404937
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110304375
5,6-dichloro-N-(4-ethylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115662752
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide (CID 64607430) is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide?
The InChIKey is XADPRCZXJMQSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3S/c1-7(2)4-10(12(18)15-3)17-21(19,20)8-5-9(13)11(14)16-6-8/h5-7,10,17H,4H2,1-3H3,(H,15,18).
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide?
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide has a molecular weight of 354.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 64607430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).