N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide

C14H12FN3O5S — CID 162428424

IUPACN-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1ccc(S(C)(=O)=O)c(F)c1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H12FN3O5S/c1-9(19)17(14-8-11(18(20)21)5-6-16-14)10-3-4-13(12(15)7-10)24(2,22)23/h3-8H,1-2H3
InChIKeyTUMOVHXITWFSFQ-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.22
Rot. Bonds4

About N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide

N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide (PubChem CID 162428424) has the molecular formula C14H12FN3O5S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
PubChem CID162428424
Molecular FormulaC14H12FN3O5S
Molecular Weight353.33 g/mol
Exact Mass353.05
IUPAC NameN-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1ccc(S(C)(=O)=O)c(F)c1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C14H12FN3O5S/c1-9(19)17(14-8-11(18(20)21)5-6-16-14)10-3-4-13(12(15)7-10)24(2,22)23/h3-8H,1-2H3
InChIKeyTUMOVHXITWFSFQ-UHFFFAOYSA-N
XLogP2.22
TPSA110.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428394
[2-(N-acetyl-3-fluoro-4-methylsulfonylanilino)-4-pyridinyl]-oxidoazanium
CID 169022959
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
CID 162428198
N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 162428454
[2-(N-acetyl-3,5-difluoro-4-methylanilino)-4-pyridinyl]-oxidoazanium
CID 169022910
1-(3-fluoro-4-methylsulfonylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 71873609
(2-fluoro-4-nitrophenyl)-trimethyl-λ4-sulfane
CID 126615200
2-fluoro-1-methylsulfonyl-4-[(E)-2-nitroprop-1-enyl]benzene
CID 57466812
N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 162428379
3-fluoro-4-methylsulfonylbenzenesulfonyl fluoride
CID 165459599

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide (CID 162428424) is N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide is CC(=O)N(c1ccc(S(C)(=O)=O)c(F)c1)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The InChIKey is TUMOVHXITWFSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O5S/c1-9(19)17(14-8-11(18(20)21)5-6-16-14)10-3-4-13(12(15)7-10)24(2,22)23/h3-8H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide?
N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide has a molecular weight of 353.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 162428424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).