[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium

C15H15F2N2O4S+ — CID 20850610

IUPAC[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium
SMILESC[N+](C)(c1ccccc1C(=O)Nc1ccc(F)cc1F)S(=O)(=O)O
InChIInChI=1S/C15H14F2N2O4S/c1-19(2,24(21,22)23)14-6-4-3-5-11(14)15(20)18-13-8-7-10(16)9-12(13)17/h3-9H,1-2H3,(H-,18,20,21,22,23)/p+1
InChIKeySVUITFDXOHKRJI-UHFFFAOYSA-O
MW357.36 g/mol
LogP2.59
Rot. Bonds4

About [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium

[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium (PubChem CID 20850610) has the molecular formula C15H15F2N2O4S+ and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium
PubChem CID20850610
Molecular FormulaC15H15F2N2O4S+
Molecular Weight357.36 g/mol
Exact Mass357.07
IUPAC Name[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium
SMILESC[N+](C)(c1ccccc1C(=O)Nc1ccc(F)cc1F)S(=O)(=O)O
InChIInChI=1S/C15H14F2N2O4S/c1-19(2,24(21,22)23)14-6-4-3-5-11(14)15(20)18-13-8-7-10(16)9-12(13)17/h3-9H,1-2H3,(H-,18,20,21,22,23)/p+1
InChIKeySVUITFDXOHKRJI-UHFFFAOYSA-O
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
CID 17224852
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557913
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium?
The IUPAC name of [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium (CID 20850610) is [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium.
What is the SMILES notation for [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium?
The canonical SMILES for [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium is C[N+](C)(c1ccccc1C(=O)Nc1ccc(F)cc1F)S(=O)(=O)O.
What is the InChIKey of [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium?
The InChIKey is SVUITFDXOHKRJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H14F2N2O4S/c1-19(2,24(21,22)23)14-6-4-3-5-11(14)15(20)18-13-8-7-10(16)9-12(13)17/h3-9H,1-2H3,(H-,18,20,21,22,23)/p+1.
What are the key properties of [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium?
[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium has a molecular weight of 357.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenyl)carbamoyl]phenyl]-dimethyl-sulfoazanium is sourced from PubChem (CID 20850610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).