N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide

C23H24N2O4S — CID 172672030

IUPACN-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc3cc(-c4ccc(O)cc4)ccc3c2)CC1
InChIInChI=1S/C23H24N2O4S/c1-30(28,29)24-21-10-12-25(13-11-21)23(27)20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-22(26)9-7-16/h2-9,14-15,21,24,26H,10-13H2,1H3
InChIKeyFQJOUSSDZPFDBU-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.37
Rot. Bonds4

About N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide

N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide (PubChem CID 172672030) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
PubChem CID172672030
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)c2ccc3cc(-c4ccc(O)cc4)ccc3c2)CC1
InChIInChI=1S/C23H24N2O4S/c1-30(28,29)24-21-10-12-25(13-11-21)23(27)20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-22(26)9-7-16/h2-9,14-15,21,24,26H,10-13H2,1H3
InChIKeyFQJOUSSDZPFDBU-UHFFFAOYSA-N
XLogP3.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118768764
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
N-[1-(5-fluoropyridine-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 91829899
6-[4-(dimethylsulfamoylamino)piperidine-1-carbonyl]-2,3-dimethylquinoxaline
CID 108565713
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
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide (CID 172672030) is N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)c2ccc3cc(-c4ccc(O)cc4)ccc3c2)CC1.
What is the InChIKey of N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is FQJOUSSDZPFDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-30(28,29)24-21-10-12-25(13-11-21)23(27)20-5-4-18-14-17(2-3-19(18)15-20)16-6-8-22(26)9-7-16/h2-9,14-15,21,24,26H,10-13H2,1H3.
What are the key properties of N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide?
N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 172672030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).