4-(anilinomethyl)benzenesulfonyl fluoride

C13H12FNO2S — CID 154447253

IUPAC4-(anilinomethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H12FNO2S/c14-18(16,17)13-8-6-11(7-9-13)10-15-12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyMUNFFMLJURHPGJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.96
Rot. Bonds4

About 4-(anilinomethyl)benzenesulfonyl fluoride

4-(anilinomethyl)benzenesulfonyl fluoride (PubChem CID 154447253) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(anilinomethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(anilinomethyl)benzenesulfonyl fluoride
PubChem CID154447253
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name4-(anilinomethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C13H12FNO2S/c14-18(16,17)13-8-6-11(7-9-13)10-15-12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyMUNFFMLJURHPGJ-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(anilinomethyl)benzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 163931246
CID 163931246
(2,3,4,5,6-pentafluorophenyl) 4-(anilinomethyl)benzenesulfonate
CID 101477255
4-benzylbenzenesulfonyl fluoride
CID 139660106
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
4-(anilinomethyl)aniline;dihydrochloride
CID 517605
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
4-[4-(benzylamino)phenyl]sulfonylbenzoic acid
CID 21178236
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
4-(anilinomethyl)benzonitrile
CID 11148468
N-[(4-ethynylphenyl)methyl]aniline
CID 102397569

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(anilinomethyl)benzenesulfonyl fluoride (CID 154447253) is 4-(anilinomethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(anilinomethyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(anilinomethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinomethyl)benzenesulfonyl fluoride?
The InChIKey is MUNFFMLJURHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-18(16,17)13-8-6-11(7-9-13)10-15-12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 4-(anilinomethyl)benzenesulfonyl fluoride?
4-(anilinomethyl)benzenesulfonyl fluoride has a molecular weight of 265.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 154447253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).