2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

C15H15F3N2O3S — CID 47784110

IUPAC2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-23-13-8-4-5-9-14(13)24(21,22)20-12-7-3-2-6-11(12)19-10-15(16,17)18/h2-9,19-20H,10H2,1H3
InChIKeyYNWUDTRPGHDQPE-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.47
Rot. Bonds6

About 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (PubChem CID 47784110) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
PubChem CID47784110
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C15H15F3N2O3S/c1-23-13-8-4-5-9-14(13)24(21,22)20-12-7-3-2-6-11(12)19-10-15(16,17)18/h2-9,19-20H,10H2,1H3
InChIKeyYNWUDTRPGHDQPE-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
2-methoxy-3-[(2-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 168867113
2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 60586094
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (CID 47784110) is 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The InChIKey is YNWUDTRPGHDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-23-13-8-4-5-9-14(13)24(21,22)20-12-7-3-2-6-11(12)19-10-15(16,17)18/h2-9,19-20H,10H2,1H3.
What are the key properties of 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 47784110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).