N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO4S — CID 141001992

IUPACN-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCOc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14F3NO4S/c1-22-10-23-14-9-11(15(16,17)18)7-8-13(14)19-24(20,21)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyCUDQGGCLGHMBTG-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 141001992) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID141001992
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC NameN-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCOc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14F3NO4S/c1-22-10-23-14-9-11(15(16,17)18)7-8-13(14)19-24(20,21)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3
InChIKeyCUDQGGCLGHMBTG-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[2-(benzenesulfonamido)-5-(trifluoromethyl)anilino]methyl]benzoate
CID 22671955
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-[2-pyrrol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3780778
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 141001992) is N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide is COCOc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is CUDQGGCLGHMBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-22-10-23-14-9-11(15(16,17)18)7-8-13(14)19-24(20,21)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3.
What are the key properties of N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethoxy)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 141001992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).