N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

C21H22FN3O4S — CID 50830865

IUPACN-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O4S/c22-15-5-11-18(12-6-15)30(28,29)24-17-7-3-14(4-8-17)21(27)25-13-1-2-19(25)20(26)23-16-9-10-16/h3-8,11-12,16,19,24H,1-2,9-10,13H2,(H,23,26)
InChIKeyGSWNHGZSAIHPNZ-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.51
Rot. Bonds6

About N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 50830865) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
PubChem CID50830865
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC NameN-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O4S/c22-15-5-11-18(12-6-15)30(28,29)24-17-7-3-14(4-8-17)21(27)25-13-1-2-19(25)20(26)23-16-9-10-16/h3-8,11-12,16,19,24H,1-2,9-10,13H2,(H,23,26)
InChIKeyGSWNHGZSAIHPNZ-UHFFFAOYSA-N
XLogP2.51
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92730158
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46388282
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 50830840
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830965
N-cyclopropyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 50830884
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658971
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 119374441
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide (CID 50830865) is N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is GSWNHGZSAIHPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c22-15-5-11-18(12-6-15)30(28,29)24-17-7-3-14(4-8-17)21(27)25-13-1-2-19(25)20(26)23-16-9-10-16/h3-8,11-12,16,19,24H,1-2,9-10,13H2,(H,23,26).
What are the key properties of N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50830865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).