2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine

C14H12F2N4O4S — CID 71035936

IUPAC2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)O)c2F)cn1
InChIInChI=1S/C14H12F2N4O4S/c1-7(21)18-11-5-2-8(6-17-11)14(22)19-13-9(15)3-4-10(12(13)16)20-25(23)24/h2-6,20H,1H3,(H,19,22)(H,23,24)(H,17,18,21)
InChIKeyCHOGYSBWXCWZMJ-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.12
Rot. Bonds5

About 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine

2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine (PubChem CID 71035936) has the molecular formula C14H12F2N4O4S and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine.

Molecular Properties

Compound Name2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine
PubChem CID71035936
Molecular FormulaC14H12F2N4O4S
Molecular Weight370.34 g/mol
Exact Mass370.05
IUPAC Name2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)O)c2F)cn1
InChIInChI=1S/C14H12F2N4O4S/c1-7(21)18-11-5-2-8(6-17-11)14(22)19-13-9(15)3-4-10(12(13)16)20-25(23)24/h2-6,20H,1H3,(H,19,22)(H,23,24)(H,17,18,21)
InChIKeyCHOGYSBWXCWZMJ-UHFFFAOYSA-N
XLogP2.12
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

6-acetamido-N-[2,6-difluoro-3-(sulfonylamino)phenyl]pyridine-3-carboxamide
CID 121392864
6-acetamido-N-[2,6-difluoro-3-(pyrrolidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418562
6-acetamido-N-[2,6-difluoro-3-(piperidin-1-ylsulfonylamino)phenyl]pyridine-3-carboxamide
CID 59418536
N-(2,6-difluoro-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 82819363
4-[3-[(6-acetamidopyridine-3-carbonyl)amino]-2,4-difluoro-N-sulfinatoanilino]morpholine
CID 91601945
N-(5-chloro-2-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62169857
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
N-(2,5-difluoro-4-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 103587390
6-[(2,6-difluoro-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82803080
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine?
The IUPAC name of 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine (CID 71035936) is 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine.
What is the SMILES notation for 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine?
The canonical SMILES for 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine is CC(=O)Nc1ccc(C(=O)Nc2c(F)ccc(NS(=O)O)c2F)cn1.
What is the InChIKey of 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine?
The InChIKey is CHOGYSBWXCWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O4S/c1-7(21)18-11-5-2-8(6-17-11)14(22)19-13-9(15)3-4-10(12(13)16)20-25(23)24/h2-6,20H,1H3,(H,19,22)(H,23,24)(H,17,18,21).
What are the key properties of 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine?
2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine has a molecular weight of 370.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-[[2,6-difluoro-3-(sulfinoamino)phenyl]carbamoyl]pyridine is sourced from PubChem (CID 71035936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).