N-(4-anilinophenyl)-2-phenoxyethanesulfonamide

C20H20N2O3S — CID 90518272

IUPACN-(4-anilinophenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S/c23-26(24,16-15-25-20-9-5-2-6-10-20)22-19-13-11-18(12-14-19)21-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2
InChIKeyISSXEGOLONDCRI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.25
Rot. Bonds8

About N-(4-anilinophenyl)-2-phenoxyethanesulfonamide

N-(4-anilinophenyl)-2-phenoxyethanesulfonamide (PubChem CID 90518272) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-phenoxyethanesulfonamide
PubChem CID90518272
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(4-anilinophenyl)-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S/c23-26(24,16-15-25-20-9-5-2-6-10-20)22-19-13-11-18(12-14-19)21-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2
InChIKeyISSXEGOLONDCRI-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
CID 122299471
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-phenoxyethanesulfonamide?
The IUPAC name of N-(4-anilinophenyl)-2-phenoxyethanesulfonamide (CID 90518272) is N-(4-anilinophenyl)-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-phenoxyethanesulfonamide?
The canonical SMILES for N-(4-anilinophenyl)-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-phenoxyethanesulfonamide?
The InChIKey is ISSXEGOLONDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-26(24,16-15-25-20-9-5-2-6-10-20)22-19-13-11-18(12-14-19)21-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2.
What are the key properties of N-(4-anilinophenyl)-2-phenoxyethanesulfonamide?
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).