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

C19H21F3N2O5S — CID 4827921

IUPAC2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C19H21F3N2O5S/c1-27-14-4-6-17(28-2)18(12-14)30(25,26)23-15-11-13(19(20,21)22)3-5-16(15)24-7-9-29-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyUGUJNFVXYFOLLX-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.36
Rot. Bonds6

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

2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 4827921) has the molecular formula C19H21F3N2O5S and a molecular weight of 446.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID4827921
Molecular FormulaC19H21F3N2O5S
Molecular Weight446.45 g/mol
Exact Mass446.11
IUPAC Name2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1
InChIInChI=1S/C19H21F3N2O5S/c1-27-14-4-6-17(28-2)18(12-14)30(25,26)23-15-11-13(19(20,21)22)3-5-16(15)24-7-9-29-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3
InChIKeyUGUJNFVXYFOLLX-UHFFFAOYSA-N
XLogP3.36
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(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

4-methoxy-3-[[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 167367561
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
azanium 4-methoxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 86765332
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 150496360
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
methyl 3-[[2-(4-cyanopiperidin-1-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]-4-methoxybenzoate
CID 152569243
5-[(2,5-dimethoxyphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 21045963
2-(2-methoxy-5-methylphenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 27667879

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 4827921) is 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UGUJNFVXYFOLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O5S/c1-27-14-4-6-17(28-2)18(12-14)30(25,26)23-15-11-13(19(20,21)22)3-5-16(15)24-7-9-29-10-8-24/h3-6,11-12,23H,7-10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 446.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4827921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).