2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide

C11H16ClN3O3S — CID 60716062

IUPAC2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-3-6-14-11(16)8(2)15-19(17,18)9-5-4-7-13-10(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyUYDJHXABNISKGR-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.93
Rot. Bonds6

About 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide

2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide (PubChem CID 60716062) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
PubChem CID60716062
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-3-6-14-11(16)8(2)15-19(17,18)9-5-4-7-13-10(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16)
InChIKeyUYDJHXABNISKGR-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
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-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62151211
N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
(2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61142213
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide (CID 60716062) is 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is UYDJHXABNISKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-6-14-11(16)8(2)15-19(17,18)9-5-4-7-13-10(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide?
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 305.79 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 60716062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).