2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C22H23N5O4S — CID 118005757

IUPAC2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C22H23N5O4S/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)32(30,31)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)
InChIKeyZWDFSVCDKZINBX-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.39
Rot. Bonds6

About 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 118005757) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID118005757
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)nc1
InChIInChI=1S/C22H23N5O4S/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)32(30,31)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)
InChIKeyZWDFSVCDKZINBX-UHFFFAOYSA-N
XLogP2.39
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 118005757) is 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)nc1.
What is the InChIKey of 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is ZWDFSVCDKZINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)32(30,31)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25).
What are the key properties of 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(benzenesulfonyl)-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 118005757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).