N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide

C17H18N4O3S — CID 9465847

IUPACN-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H18N4O3S/c22-17(20-19-13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)25(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b19-13-
InChIKeyBBOLHNYJLYVXBS-UYRXBGFRSA-N
MW358.42 g/mol
LogP1.63
Rot. Bonds5

About N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 9465847) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID9465847
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H18N4O3S/c22-17(20-19-13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)25(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b19-13-
InChIKeyBBOLHNYJLYVXBS-UYRXBGFRSA-N
XLogP1.63
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466047
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884439
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6884438
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466068
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 3947692
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(benzylideneamino)-3-piperidin-1-ylsulfonylbenzamide
CID 2589458
N-(cycloheptylideneamino)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465917
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 9465847) is N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(N/N=C\c1ccccn1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BBOLHNYJLYVXBS-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17(20-19-13-15-5-1-2-10-18-15)14-6-8-16(9-7-14)25(23,24)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2,(H,20,22)/b19-13-.
What are the key properties of N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9465847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).