N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide

C19H22N2O4S — CID 118767374

IUPACN-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-26(24,25)20-16-10-12-21(13-11-16)19(23)15-8-6-14(7-9-15)17-4-2-3-5-18(17)22/h2-9,16,20,22H,10-13H2,1H3
InChIKeyLGWVZJGAATZIJE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.21
Rot. Bonds4

About N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide

N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 118767374) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
PubChem CID118767374
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC1
InChIInChI=1S/C19H22N2O4S/c1-26(24,25)20-16-10-12-21(13-11-16)19(23)15-8-6-14(7-9-15)17-4-2-3-5-18(17)22/h2-9,16,20,22H,10-13H2,1H3
InChIKeyLGWVZJGAATZIJE-UHFFFAOYSA-N
XLogP2.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 172672030
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
2-amino-N-[1-[4-(2-methylsulfonylphenyl)benzoyl]pyrrolidin-3-yl]pyrimidine-5-sulfonamide
CID 11488950
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide (CID 118767374) is N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3ccccc3O)cc2)CC1.
What is the InChIKey of N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is LGWVZJGAATZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(24,25)20-16-10-12-21(13-11-16)19(23)15-8-6-14(7-9-15)17-4-2-3-5-18(17)22/h2-9,16,20,22H,10-13H2,1H3.
What are the key properties of N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 118767374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).