2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO4S — CID 7342398

IUPAC2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO4S/c1-22-12-7-8-13(23-2)14(9-12)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h3-9,19H,1-2H3
InChIKeyCSCXMCJRSRADKU-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.52
Rot. Bonds5

About 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 7342398) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID7342398
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO4S/c1-22-12-7-8-13(23-2)14(9-12)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h3-9,19H,1-2H3
InChIKeyCSCXMCJRSRADKU-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
2,5-dimethoxy-N-[5-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
CID 56684295
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 1295813
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 7342398) is 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is CSCXMCJRSRADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-22-12-7-8-13(23-2)14(9-12)24(20,21)19-11-5-3-10(4-6-11)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7342398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).