N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide

C23H24N2O7S2 — CID 28579503

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O7S2/c1-30-23-12-11-21(34(28,29)25-13-15-31-16-14-25)17-22(23)24-33(26,27)20-9-7-19(8-10-20)32-18-5-3-2-4-6-18/h2-12,17,24H,13-16H2,1H3
InChIKeyAACPLOGWDBZQLP-UHFFFAOYSA-N
MW504.59 g/mol
LogP3.31
Rot. Bonds8

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide (PubChem CID 28579503) has the molecular formula C23H24N2O7S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
PubChem CID28579503
Molecular FormulaC23H24N2O7S2
Molecular Weight504.59 g/mol
Exact Mass504.10
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H24N2O7S2/c1-30-23-12-11-21(34(28,29)25-13-15-31-16-14-25)17-22(23)24-33(26,27)20-9-7-19(8-10-20)32-18-5-3-2-4-6-18/h2-12,17,24H,13-16H2,1H3
InChIKeyAACPLOGWDBZQLP-UHFFFAOYSA-N
XLogP3.31
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
4-fluoro-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 28565941
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100651378
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-[4-morpholin-4-ylsulfonyl-2-[(3-phenoxybenzoyl)amino]phenyl]-3-phenoxybenzamide
CID 5064670
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
4-tert-butyl-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 26952024
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
(E)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 7733249
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-ethylbenzenesulfonamide
CID 29099743

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide (CID 28579503) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide?
The InChIKey is AACPLOGWDBZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S2/c1-30-23-12-11-21(34(28,29)25-13-15-31-16-14-25)17-22(23)24-33(26,27)20-9-7-19(8-10-20)32-18-5-3-2-4-6-18/h2-12,17,24H,13-16H2,1H3.
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide has a molecular weight of 504.59 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 28579503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).