5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide

C23H25NO7S2 — CID 25179868

IUPAC5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)cc1OC
InChIInChI=1S/C23H25NO7S2/c1-29-20-11-9-17(15-22(20)31-3)13-14-24-33(27,28)23-16-19(10-12-21(23)30-2)32(25,26)18-7-5-4-6-8-18/h4-12,15-16,24H,13-14H2,1-3H3
InChIKeyXVLISPMBXGCNRV-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.07
Rot. Bonds10

About 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide

5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 25179868) has the molecular formula C23H25NO7S2 and a molecular weight of 491.59 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID25179868
Molecular FormulaC23H25NO7S2
Molecular Weight491.59 g/mol
Exact Mass491.11
IUPAC Name5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)cc1OC
InChIInChI=1S/C23H25NO7S2/c1-29-20-11-9-17(15-22(20)31-3)13-14-24-33(27,28)23-16-19(10-12-21(23)30-2)32(25,26)18-7-5-4-6-8-18/h4-12,15-16,24H,13-14H2,1-3H3
InChIKeyXVLISPMBXGCNRV-UHFFFAOYSA-N
XLogP3.07
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide 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

5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
(E)-3-[3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenyl]prop-2-enoic acid
CID 67019612
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
CID 43958089
methyl 3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoate
CID 31701712
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 3836632

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide (CID 25179868) is 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)cc1OC.
What is the InChIKey of 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is XVLISPMBXGCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO7S2/c1-29-20-11-9-17(15-22(20)31-3)13-14-24-33(27,28)23-16-19(10-12-21(23)30-2)32(25,26)18-7-5-4-6-8-18/h4-12,15-16,24H,13-14H2,1-3H3.
What are the key properties of 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide?
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 491.59 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 25179868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).