N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C17H21FN2O3S — CID 113092556

IUPACN-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2N(C)C)cc1C
InChIInChI=1S/C17H21FN2O3S/c1-11-9-17(12(2)8-16(11)23-5)24(21,22)19-14-10-13(18)6-7-15(14)20(3)4/h6-10,19H,1-5H3
InChIKeySCWLNARSVDSMLK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 113092556) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID113092556
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2N(C)C)cc1C
InChIInChI=1S/C17H21FN2O3S/c1-11-9-17(12(2)8-16(11)23-5)24(21,22)19-14-10-13(18)6-7-15(14)20(3)4/h6-10,19H,1-5H3
InChIKeySCWLNARSVDSMLK-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
CID 113092573
N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
CID 113092913
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
CID 113093138
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 113092556) is N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2N(C)C)cc1C.
What is the InChIKey of N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is SCWLNARSVDSMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-11-9-17(12(2)8-16(11)23-5)24(21,22)19-14-10-13(18)6-7-15(14)20(3)4/h6-10,19H,1-5H3.
What are the key properties of N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 352.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113092556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).