N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide

C15H16F2N2O2S — CID 113092544

IUPACN-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(F)ccc2N(C)C)ccc1F
InChIInChI=1S/C15H16F2N2O2S/c1-10-8-12(5-6-13(10)17)22(20,21)18-14-9-11(16)4-7-15(14)19(2)3/h4-9,18H,1-3H3
InChIKeyVFMDMPMWIZXCTK-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113092544) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113092544
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(F)ccc2N(C)C)ccc1F
InChIInChI=1S/C15H16F2N2O2S/c1-10-8-12(5-6-13(10)17)22(20,21)18-14-9-11(16)4-7-15(14)19(2)3/h4-9,18H,1-3H3
InChIKeyVFMDMPMWIZXCTK-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113092568
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
4-fluoro-3-methyl-N-[2-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113093542
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
CID 113092573
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113092544) is N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(F)ccc2N(C)C)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is VFMDMPMWIZXCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c1-10-8-12(5-6-13(10)17)22(20,21)18-14-9-11(16)4-7-15(14)19(2)3/h4-9,18H,1-3H3.
What are the key properties of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113092544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).