4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide

C21H22N2O6S2 — CID 22202817

IUPAC4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H22N2O6S2/c1-3-29-17-10-14-19(15-11-17)30(24,25)22-16-8-12-18(13-9-16)31(26,27)23-20-6-4-5-7-21(20)28-2/h4-15,22-23H,3H2,1-2H3
InChIKeyDPISCZFSGRZRIF-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.70
Rot. Bonds9

About 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide

4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 22202817) has the molecular formula C21H22N2O6S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID22202817
Molecular FormulaC21H22N2O6S2
Molecular Weight462.55 g/mol
Exact Mass462.09
IUPAC Name4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H22N2O6S2/c1-3-29-17-10-14-19(15-11-17)30(24,25)22-16-8-12-18(13-9-16)31(26,27)23-20-6-4-5-7-21(20)28-2/h4-15,22-23H,3H2,1-2H3
InChIKeyDPISCZFSGRZRIF-UHFFFAOYSA-N
XLogP3.70
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide (CID 22202817) is 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is DPISCZFSGRZRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S2/c1-3-29-17-10-14-19(15-11-17)30(24,25)22-16-8-12-18(13-9-16)31(26,27)23-20-6-4-5-7-21(20)28-2/h4-15,22-23H,3H2,1-2H3.
What are the key properties of 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide?
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 462.55 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 22202817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).