3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide

C24H27N3O4S — CID 69356367

IUPAC3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCCN2CCCOc2ccc(C(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H27N3O4S/c25-17-18-4-1-5-22(16-18)32(29,30)26-23-6-2-13-27(23)14-3-15-31-21-11-9-20(10-12-21)24(28)19-7-8-19/h1,4-5,9-12,16,19,23,26H,2-3,6-8,13-15H2
InChIKeyDXFVOWUDJYJTEV-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.32
Rot. Bonds10

About 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide

3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide (PubChem CID 69356367) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
PubChem CID69356367
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC2CCCN2CCCOc2ccc(C(=O)C3CC3)cc2)c1
InChIInChI=1S/C24H27N3O4S/c25-17-18-4-1-5-22(16-18)32(29,30)26-23-6-2-13-27(23)14-3-15-31-21-11-9-20(10-12-21)24(28)19-7-8-19/h1,4-5,9-12,16,19,23,26H,2-3,6-8,13-15H2
InChIKeyDXFVOWUDJYJTEV-UHFFFAOYSA-N
XLogP3.32
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 69355524
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 87797176
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-2-sulfanylbenzenesulfonamide
CID 91304085
N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
CID 69356260
5-chloro-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 69355327
4-tert-butyl-N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide
CID 69355786
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]-2-methylbenzenesulfonamide
CID 69357390
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]propane-2-sulfonamide
CID 69355941
methyl (2R)-1-[3-(3-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97062500
N-[1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-2-yl]acetamide
CID 69356018
2-[(2R)-1-[3-(3-cyanophenoxy)propyl]piperidin-2-yl]acetamide
CID 97228605
N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-2-yl]-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 69356706

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide (CID 69356367) is 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC2CCCN2CCCOc2ccc(C(=O)C3CC3)cc2)c1.
What is the InChIKey of 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide?
The InChIKey is DXFVOWUDJYJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c25-17-18-4-1-5-22(16-18)32(29,30)26-23-6-2-13-27(23)14-3-15-31-21-11-9-20(10-12-21)24(28)19-7-8-19/h1,4-5,9-12,16,19,23,26H,2-3,6-8,13-15H2.
What are the key properties of 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide?
3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide has a molecular weight of 453.56 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 69356367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).