N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide

C18H17Cl2FN2O3S — CID 24748122

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-13-2-1-12(17(20)9-13)10-22-18(24)23-8-7-16(11-23)27(25,26)15-5-3-14(21)4-6-15/h1-6,9,16H,7-8,10-11H2,(H,22,24)
InChIKeyWNAZCZYECXVYJS-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.89
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide (PubChem CID 24748122) has the molecular formula C18H17Cl2FN2O3S and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide
PubChem CID24748122
Molecular FormulaC18H17Cl2FN2O3S
Molecular Weight431.32 g/mol
Exact Mass430.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H17Cl2FN2O3S/c19-13-2-1-12(17(20)9-13)10-22-18(24)23-8-7-16(11-23)27(25,26)15-5-3-14(21)4-6-15/h1-6,9,16H,7-8,10-11H2,(H,22,24)
InChIKeyWNAZCZYECXVYJS-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonyl)piperidine-1-carboxamide
CID 46225085
N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonamido)piperidine-1-carboxamide
CID 46225086
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfonyl]propanamide
CID 5122134
N-(4-chlorobenzyl)-2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxamide
CID 71805910
N-(4-chlorobenzyl)-4-(phenylsulfonyl)piperidine-1-carboxamide
CID 71808770
(3S)-3-(benzenesulfonyl)-N-benzylpyrrolidine-1-carboxamide
CID 97354937
3-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 57670314
4-(benzenesulfonyl)-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 57670411
3-(4-Fluoro-benzenesulfonyl)-piperidine-1-carboxylic Acid 2,4-dichloro-benzylamide
CID 57670470
3-(4-Chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 140386864
N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfanylpyrrolidine-1-carboxamide
CID 143541825
N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8362649

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide (CID 24748122) is N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide?
The InChIKey is WNAZCZYECXVYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O3S/c19-13-2-1-12(17(20)9-13)10-22-18(24)23-8-7-16(11-23)27(25,26)15-5-3-14(21)4-6-15/h1-6,9,16H,7-8,10-11H2,(H,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide has a molecular weight of 431.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide is sourced from PubChem (CID 24748122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).