N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide

C27H32N2O4S — CID 90816070

IUPACN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCCC(O)C2)cc1
InChIInChI=1S/C27H32N2O4S/c30-25-16-12-23(13-17-25)20-29(34(32,33)27-8-2-1-3-9-27)24-14-10-22(11-15-24)6-4-18-28-19-5-7-26(31)21-28/h1-3,8-17,26,30-31H,4-7,18-21H2
InChIKeyZLXKVTANZREDJK-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.18
Rot. Bonds9

About N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide

N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide (PubChem CID 90816070) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide
PubChem CID90816070
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCCC(O)C2)cc1
InChIInChI=1S/C27H32N2O4S/c30-25-16-12-23(13-17-25)20-29(34(32,33)27-8-2-1-3-9-27)24-14-10-22(11-15-24)6-4-18-28-19-5-7-26(31)21-28/h1-3,8-17,26,30-31H,4-7,18-21H2
InChIKeyZLXKVTANZREDJK-UHFFFAOYSA-N
XLogP4.18
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide (CID 90816070) is N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCCC(O)C2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide?
The InChIKey is ZLXKVTANZREDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c30-25-16-12-23(13-17-25)20-29(34(32,33)27-8-2-1-3-9-27)24-14-10-22(11-15-24)6-4-18-28-19-5-7-26(31)21-28/h1-3,8-17,26,30-31H,4-7,18-21H2.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide?
N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-[4-[3-(3-hydroxypiperidin-1-yl)propyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90816070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).