5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C22H23NO6S2 — CID 25180257

IUPAC5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)c1
InChIInChI=1S/C22H23NO6S2/c1-28-18-8-6-7-17(15-18)13-14-23-31(26,27)22-16-20(11-12-21(22)29-2)30(24,25)19-9-4-3-5-10-19/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyJSHRYBFEGGJBSW-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.06
Rot. Bonds9

About 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 25180257) has the molecular formula C22H23NO6S2 and a molecular weight of 461.56 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID25180257
Molecular FormulaC22H23NO6S2
Molecular Weight461.56 g/mol
Exact Mass461.10
IUPAC Name5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)c1
InChIInChI=1S/C22H23NO6S2/c1-28-18-8-6-7-17(15-18)13-14-23-31(26,27)22-16-20(11-12-21(22)29-2)30(24,25)19-9-4-3-5-10-19/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyJSHRYBFEGGJBSW-UHFFFAOYSA-N
XLogP3.06
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
N-[3-(3-chlorophenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 141008380
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283394
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 25180257) is 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2OC)c1.
What is the InChIKey of 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is JSHRYBFEGGJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S2/c1-28-18-8-6-7-17(15-18)13-14-23-31(26,27)22-16-20(11-12-21(22)29-2)30(24,25)19-9-4-3-5-10-19/h3-12,15-16,23H,13-14H2,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 461.56 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25180257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).