N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 52792200

IUPACN-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O4S/c23-18-8-4-6-16(14-18)10-11-21-20(24)17-7-5-9-19(15-17)27(25,26)22-12-2-1-3-13-22/h4-9,14-15,23H,1-3,10-13H2,(H,21,24)
InChIKeyCNLZVMFBRYUKED-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 52792200) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID52792200
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O4S/c23-18-8-4-6-16(14-18)10-11-21-20(24)17-7-5-9-19(15-17)27(25,26)22-12-2-1-3-13-22/h4-9,14-15,23H,1-3,10-13H2,(H,21,24)
InChIKeyCNLZVMFBRYUKED-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 52792200) is N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCCc1cccc(O)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CNLZVMFBRYUKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-18-8-4-6-16(14-18)10-11-21-20(24)17-7-5-9-19(15-17)27(25,26)22-12-2-1-3-13-22/h4-9,14-15,23H,1-3,10-13H2,(H,21,24).
What are the key properties of N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 52792200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).