N-fluoro-4-methyl-N-phenylbenzenesulfonamide

C13H12FNO2S — CID 146522187

IUPACN-fluoro-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(F)c2ccccc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-11-7-9-13(10-8-11)18(16,17)15(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyUCYGTSLCBVEHNY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.07
Rot. Bonds3

About N-fluoro-4-methyl-N-phenylbenzenesulfonamide

N-fluoro-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 146522187) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-fluoro-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-fluoro-4-methyl-N-phenylbenzenesulfonamide
PubChem CID146522187
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-fluoro-4-methyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(F)c2ccccc2)cc1
InChIInChI=1S/C13H12FNO2S/c1-11-7-9-13(10-8-11)18(16,17)15(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyUCYGTSLCBVEHNY-UHFFFAOYSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
ethyl-(N-(4-methylphenyl)sulfonylanilino)mercury
CID 10598
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
4-methyl-N',N'-diphenylbenzenesulfonohydrazide
CID 711063
3-methyl-N-(4-methylphenyl)sulfonyl-N-phenylbut-2-enamide
CID 19210572
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
3,3-dimethyl-N-(4-methylphenyl)sulfonyl-N-phenylbutanamide
CID 19219305
4-methyl-N-[(2R)-1-oxo-1-phenylpropan-2-yl]-N-phenylbenzenesulfonamide
CID 92534233
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-fluoro-4-methyl-N-phenylbenzenesulfonamide (CID 146522187) is N-fluoro-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-fluoro-4-methyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(F)c2ccccc2)cc1.
What is the InChIKey of N-fluoro-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is UCYGTSLCBVEHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-11-7-9-13(10-8-11)18(16,17)15(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of N-fluoro-4-methyl-N-phenylbenzenesulfonamide?
N-fluoro-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 146522187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).