3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H22FN3O3S — CID 18280052

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-15-3-9-18(10-4-15)27(25,26)21-12-11-19(24)22-16-5-7-17(8-6-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24)
InChIKeyCGELDQOGNFXTDB-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.73
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 18280052) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID18280052
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22FN3O3S/c20-15-3-9-18(10-4-15)27(25,26)21-12-11-19(24)22-16-5-7-17(8-6-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24)
InChIKeyCGELDQOGNFXTDB-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55976370
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 18280052) is 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is CGELDQOGNFXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-15-3-9-18(10-4-15)27(25,26)21-12-11-19(24)22-16-5-7-17(8-6-16)23-13-1-2-14-23/h3-10,21H,1-2,11-14H2,(H,22,24).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 391.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 18280052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).