(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C12H12Cl2N4O4S — CID 110304375

IUPAC(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)no1
InChIInChI=1S/C12H12Cl2N4O4S/c1-6-3-10(17-22-6)16-12(19)7(2)18-23(20,21)8-4-9(13)11(14)15-5-8/h3-5,7,18H,1-2H3,(H,16,17,19)/t7-/m0/s1
InChIKeyTXBABFZXJJWPAT-ZETCQYMHSA-N
MW379.23 g/mol
LogP1.99
Rot. Bonds5

About (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 110304375) has the molecular formula C12H12Cl2N4O4S and a molecular weight of 379.23 g/mol. Its IUPAC name is (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID110304375
Molecular FormulaC12H12Cl2N4O4S
Molecular Weight379.23 g/mol
Exact Mass378.00
IUPAC Name(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)no1
InChIInChI=1S/C12H12Cl2N4O4S/c1-6-3-10(17-22-6)16-12(19)7(2)18-23(20,21)8-4-9(13)11(14)15-5-8/h3-5,7,18H,1-2H3,(H,16,17,19)/t7-/m0/s1
InChIKeyTXBABFZXJJWPAT-ZETCQYMHSA-N
XLogP1.99
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
CID 112507138
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507157
(2R)-2-(3-chloro-4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94027303
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)propanamide
CID 110624121
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N,4-dimethylpentanamide
CID 64607430
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 24527190
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]propanamide
CID 21004888

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 110304375) is (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cnc(Cl)c(Cl)c2)no1.
What is the InChIKey of (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is TXBABFZXJJWPAT-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12Cl2N4O4S/c1-6-3-10(17-22-6)16-12(19)7(2)18-23(20,21)8-4-9(13)11(14)15-5-8/h3-5,7,18H,1-2H3,(H,16,17,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 379.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 110304375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).