N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide

C21H21NO4S — CID 4793747

IUPACN-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-19-14-12-18(13-15-19)22(16-17-26-20-8-4-2-5-9-20)27(23,24)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyIBKUHVBVBHMBBZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.97
Rot. Bonds8

About N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide

N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 4793747) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID4793747
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-19-14-12-18(13-15-19)22(16-17-26-20-8-4-2-5-9-20)27(23,24)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3
InChIKeyIBKUHVBVBHMBBZ-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide 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

N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
CID 60609661
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
methyl 2-[N-(benzenesulfonyl)-4-propoxyanilino]acetate
CID 50894913
4-amino-N-benzyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 100591331
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2896526

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide (CID 4793747) is N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide is COc1ccc(N(CCOc2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is IBKUHVBVBHMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-19-14-12-18(13-15-19)22(16-17-26-20-8-4-2-5-9-20)27(23,24)21-10-6-3-7-11-21/h2-15H,16-17H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 4793747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).