4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide

C22H28N2O4S — CID 108564360

IUPAC4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)16-8-10-18(11-9-16)29(27,28)23-17-12-14-24(15-13-17)21(26)19-6-4-5-7-20(19)25/h4-11,17,23,25H,12-15H2,1-3H3
InChIKeyICIMVTXIBAJXQO-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.27
Rot. Bonds4

About 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide

4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 108564360) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
PubChem CID108564360
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1
InChIInChI=1S/C22H28N2O4S/c1-22(2,3)16-8-10-18(11-9-16)29(27,28)23-17-12-14-24(15-13-17)21(26)19-6-4-5-7-20(19)25/h4-11,17,23,25H,12-15H2,1-3H3
InChIKeyICIMVTXIBAJXQO-UHFFFAOYSA-N
XLogP3.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
4-tert-butyl-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzenesulfonamide
CID 108563235
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
5-(benzenesulfonyl)-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-propan-2-ylbenzenesulfonamide
CID 57430598
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide (CID 108564360) is 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is ICIMVTXIBAJXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-22(2,3)16-8-10-18(11-9-16)29(27,28)23-17-12-14-24(15-13-17)21(26)19-6-4-5-7-20(19)25/h4-11,17,23,25H,12-15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide?
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 108564360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).