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

C19H20FN3O3S — CID 3295556

IUPACN-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-14(15-7-9-17(20)10-8-15)21-22-19(24)16-5-4-6-18(13-16)27(25,26)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyBUYCYFWHBPTBCD-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.76
Rot. Bonds5

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

N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3295556) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3295556
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-14(15-7-9-17(20)10-8-15)21-22-19(24)16-5-4-6-18(13-16)27(25,26)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyBUYCYFWHBPTBCD-UHFFFAOYSA-N
XLogP2.76
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.76
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)-1-(4-hydroxyphenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135775289
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-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-[(2,4-difluorophenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589534
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6092193
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
4-methoxy-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]benzamide
CID 9359416
3-pyrrolidin-1-ylsulfonyl-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3351049
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9246301
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135755195
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3295556) is N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BUYCYFWHBPTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-14(15-7-9-17(20)10-8-15)21-22-19(24)16-5-4-6-18(13-16)27(25,26)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 389.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3295556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).