N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H20ClFN2O4S — CID 70941321

IUPACN-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)cc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-16-10-13(9-14(20)11-16)12-22-19(24)18-3-2-8-23(18)28(25,26)17-6-4-15(21)5-7-17/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,22,24)
InChIKeyFNICNMXGWVHLSP-UHFFFAOYSA-N
MW426.90 g/mol
LogP2.96
Rot. Bonds6

About N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 70941321) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID70941321
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC NameN-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1cc(Cl)cc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20ClFN2O4S/c1-27-16-10-13(9-14(20)11-16)12-22-19(24)18-3-2-8-23(18)28(25,26)17-6-4-15(21)5-7-17/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,22,24)
InChIKeyFNICNMXGWVHLSP-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-5-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941519
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
1-(4-fluorophenyl)sulfonyl-N-[[3-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 75298437
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
1-(4-fluorophenyl)sulfonyl-N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 118413639
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
(2S)-N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118413755
(2S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(2-phenylethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 118413634
(2R)-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92887594
1-(4-fluorophenyl)sulfonyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]pyrrolidine-2-carboxamide
CID 43050515
N-[(3-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 70941491

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 70941321) is N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is COc1cc(Cl)cc(CNC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FNICNMXGWVHLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-27-16-10-13(9-14(20)11-16)12-22-19(24)18-3-2-8-23(18)28(25,26)17-6-4-15(21)5-7-17/h4-7,9-11,18H,2-3,8,12H2,1H3,(H,22,24).
What are the key properties of N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 70941321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).