1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene

C14H12FNO3S — CID 167113383

IUPAC1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene
SMILESCN(c1ccccc1C(=O)c1ccc(F)cc1)S(=O)O
InChIInChI=1S/C14H12FNO3S/c1-16(20(18)19)13-5-3-2-4-12(13)14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,18,19)
InChIKeyASGNKSIYSPGUEQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene

1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene (PubChem CID 167113383) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene
PubChem CID167113383
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene
SMILESCN(c1ccccc1C(=O)c1ccc(F)cc1)S(=O)O
InChIInChI=1S/C14H12FNO3S/c1-16(20(18)19)13-5-3-2-4-12(13)14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,18,19)
InChIKeyASGNKSIYSPGUEQ-UHFFFAOYSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorobenzoyl)benzoate
CID 5082940
[2-(4-fluorobenzoyl)phenyl]azanium
CID 101152012
(4-fluorophenyl)-phenylmethanone
CID 161464622
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
2-[2-(4-fluorobenzoyl)-N-propan-2-ylanilino]-5-oxopent-2-enoic acid
CID 91369488
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene?
The IUPAC name of 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene (CID 167113383) is 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene.
What is the SMILES notation for 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene?
The canonical SMILES for 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene is CN(c1ccccc1C(=O)c1ccc(F)cc1)S(=O)O.
What is the InChIKey of 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene?
The InChIKey is ASGNKSIYSPGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-16(20(18)19)13-5-3-2-4-12(13)14(17)10-6-8-11(15)9-7-10/h2-9H,1H3,(H,18,19).
What are the key properties of 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene?
1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene has a molecular weight of 293.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-2-[methyl(sulfino)amino]benzene is sourced from PubChem (CID 167113383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).