N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide

C25H28N2O4S — CID 118727033

IUPACN-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H28N2O4S/c28-23-13-9-21(10-14-23)27(32(29,30)25-7-3-1-4-8-25)22-11-15-24(16-12-22)31-20-19-26-17-5-2-6-18-26/h1,3-4,7-16,28H,2,5-6,17-20H2
InChIKeyGIGDJJBEZRGFIZ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.78
Rot. Bonds8

About N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide

N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide (PubChem CID 118727033) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
PubChem CID118727033
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H28N2O4S/c28-23-13-9-21(10-14-23)27(32(29,30)25-7-3-1-4-8-25)22-11-15-24(16-12-22)31-20-19-26-17-5-2-6-18-26/h1,3-4,7-16,28H,2,5-6,17-20H2
InChIKeyGIGDJJBEZRGFIZ-UHFFFAOYSA-N
XLogP4.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 22137338
N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 10026885
3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137368
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-chloro-N-[(3-hydroxyphenyl)methyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137465
2-(4-hydroxyphenyl)-3-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]pent-2-en-1-one
CID 67236853
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
N-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137427
4-[N-hexyl-4-(2-pyrrolidin-1-ylethoxy)anilino]phenol
CID 118727021
N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 67281401

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide (CID 118727033) is N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(c1ccc(O)cc1)c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The InChIKey is GIGDJJBEZRGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-23-13-9-21(10-14-23)27(32(29,30)25-7-3-1-4-8-25)22-11-15-24(16-12-22)31-20-19-26-17-5-2-6-18-26/h1,3-4,7-16,28H,2,5-6,17-20H2.
What are the key properties of N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 118727033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).