4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide

C14H15FN2O2S — CID 62124000

IUPAC4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1cc(F)ccc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10-8-12(15)3-2-11(10)9-17-13-4-6-14(7-5-13)20(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyQOJMJXPMFKFJGT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds4

About 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide

4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide (PubChem CID 62124000) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
PubChem CID62124000
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1cc(F)ccc1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10-8-12(15)3-2-11(10)9-17-13-4-6-14(7-5-13)20(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyQOJMJXPMFKFJGT-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-difluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 43312702
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
4-[3-[4-fluoro-2-(hydroxymethyl)phenyl]propylamino]benzenesulfonamide
CID 160651782
4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 79611433
4-[(2-bromo-5-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 61016220
5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418
3-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-4-nitroaniline
CID 82864156
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
N-[(4-fluoro-2-methylphenyl)methyl]-4-pyrazol-1-ylaniline
CID 62134405
N-[(4-fluoro-2-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 63448392

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide (CID 62124000) is 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide is Cc1cc(F)ccc1CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide?
The InChIKey is QOJMJXPMFKFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-8-12(15)3-2-11(10)9-17-13-4-6-14(7-5-13)20(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide?
4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62124000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).