N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide

C27H30N2O4S — CID 90903988

IUPACN-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C27H30N2O4S/c30-26-10-6-9-24(21-26)22-29(34(31,32)20-15-23-7-2-1-3-8-23)25-11-13-27(14-12-25)33-19-18-28-16-4-5-17-28/h1-3,6-15,20-21,30H,4-5,16-19,22H2
InChIKeyVPBHGIRFAYIEBJ-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.87
Rot. Bonds10

About N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide

N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide (PubChem CID 90903988) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide
PubChem CID90903988
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C27H30N2O4S/c30-26-10-6-9-24(21-26)22-29(34(31,32)20-15-23-7-2-1-3-8-23)25-11-13-27(14-12-25)33-19-18-28-16-4-5-17-28/h1-3,6-15,20-21,30H,4-5,16-19,22H2
InChIKeyVPBHGIRFAYIEBJ-UHFFFAOYSA-N
XLogP4.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide 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-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 10026885
4-chloro-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137465
3-fluoro-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137386
N-[(3-hydroxyphenyl)methyl]-4-propan-2-yl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137331
N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 22137282
3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137368
N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 22137338
2-chloro-N-[(4-hydroxy-3-methylphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137396
N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 118727033
N-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137427
2-chloro-N-[(2-chloro-4-hydroxyphenyl)methyl]-4-fluoro-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 10437274
(E)-N-(2,5-dichlorophenyl)-2-phenyl-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethenesulfonamide
CID 22276133

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide (CID 90903988) is N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide is O=S(=O)(C=Cc1ccccc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide?
The InChIKey is VPBHGIRFAYIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c30-26-10-6-9-24(21-26)22-29(34(31,32)20-15-23-7-2-1-3-8-23)25-11-13-27(14-12-25)33-19-18-28-16-4-5-17-28/h1-3,6-15,20-21,30H,4-5,16-19,22H2.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide?
N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide has a molecular weight of 478.61 g/mol, XLogP of 4.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethenesulfonamide is sourced from PubChem (CID 90903988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).