N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide

C19H21N3O3S — CID 2589458

IUPACN-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,21,23)
InChIKeyUMSDXWAKVITYNM-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.63
Rot. Bonds5

About N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide

N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2589458) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2589458
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NN=Cc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,21,23)
InChIKeyUMSDXWAKVITYNM-UHFFFAOYSA-N
XLogP2.63
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6907579
N-[(4-methylsulfanylphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 5099990
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-[(2-bromophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589638
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92958938
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589534
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589241
N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9069405
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589477
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 6909722

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide (CID 2589458) is N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide is O=C(NN=Cc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UMSDXWAKVITYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,21,23).
What are the key properties of N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide?
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2589458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).