N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

C19H21N3O4S — CID 135775289

IUPACN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(15-7-9-17(23)10-8-15)20-21-19(24)16-5-4-6-18(13-16)27(25,26)22-11-2-3-12-22/h4-10,13,23H,2-3,11-12H2,1H3,(H,21,24)/b20-14+
InChIKeyGQXRGQHVGVPZSL-XSFVSMFZSA-N
MW387.46 g/mol
LogP2.33
Rot. Bonds5

About N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 135775289) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID135775289
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(O)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(15-7-9-17(23)10-8-15)20-21-19(24)16-5-4-6-18(13-16)27(25,26)22-11-2-3-12-22/h4-10,13,23H,2-3,11-12H2,1H3,(H,21,24)/b20-14+
InChIKeyGQXRGQHVGVPZSL-XSFVSMFZSA-N
XLogP2.33
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3295556
N-[1-(furan-2-yl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4251869
3-piperidin-1-ylsulfonyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3451830
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6092193
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
N'-(4-acetylphenyl)sulfonyl-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 26969406
N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 137129713
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135622247
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 135775289) is N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GQXRGQHVGVPZSL-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14(15-7-9-17(23)10-8-15)20-21-19(24)16-5-4-6-18(13-16)27(25,26)22-11-2-3-12-22/h4-10,13,23H,2-3,11-12H2,1H3,(H,21,24)/b20-14+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 387.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 135775289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).