N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide

C21H22N2O4S — CID 112987708

IUPACN-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-27-20-10-8-17(9-11-20)22-16-4-6-18(7-5-16)23-28(24,25)21-14-12-19(26-2)13-15-21/h4-15,22-23H,3H2,1-2H3
InChIKeyCFDLBRODSSLABG-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.64
Rot. Bonds8

About N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide

N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 112987708) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
PubChem CID112987708
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-27-20-10-8-17(9-11-20)22-16-4-6-18(7-5-16)23-28(24,25)21-14-12-19(26-2)13-15-21/h4-15,22-23H,3H2,1-2H3
InChIKeyCFDLBRODSSLABG-UHFFFAOYSA-N
XLogP4.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
(2S)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26076761
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide (CID 112987708) is N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide is CCOc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is CFDLBRODSSLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-27-20-10-8-17(9-11-20)22-16-4-6-18(7-5-16)23-28(24,25)21-14-12-19(26-2)13-15-21/h4-15,22-23H,3H2,1-2H3.
What are the key properties of N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide?
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 112987708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).