N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide

C20H23N3O5S — CID 18109154

IUPACN'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N3O5S/c1-14-9-10-15(13-18(14)29(27,28)23-11-5-2-6-12-23)19(25)21-22-20(26)16-7-3-4-8-17(16)24/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyNHGURGMQDUZZFC-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.95
Rot. Bonds4

About N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide

N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 18109154) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID18109154
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23N3O5S/c1-14-9-10-15(13-18(14)29(27,28)23-11-5-2-6-12-23)19(25)21-22-20(26)16-7-3-4-8-17(16)24/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyNHGURGMQDUZZFC-UHFFFAOYSA-N
XLogP1.95
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide (CID 18109154) is N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is NHGURGMQDUZZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-14-9-10-15(13-18(14)29(27,28)23-11-5-2-6-12-23)19(25)21-22-20(26)16-7-3-4-8-17(16)24/h3-4,7-10,13,24H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 417.49 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-4-methyl-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 18109154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).