(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide

C21H19ClFN3O3S — CID 166835448

IUPAC(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1
InChIInChI=1S/C21H19ClFN3O3S/c22-15-5-3-14-11-17(7-4-13(14)10-15)30(28,29)26-9-1-2-20(26)21(27)25-19-12-16(24)6-8-18(19)23/h3-8,10-12,20H,1-2,9,24H2,(H,25,27)/t20-/m1/s1
InChIKeyMQVNOFILFJOVIM-HXUWFJFHSA-N
MW447.92 g/mol
LogP4.01
Rot. Bonds4

About (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 166835448) has the molecular formula C21H19ClFN3O3S and a molecular weight of 447.92 g/mol. Its IUPAC name is (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
PubChem CID166835448
Molecular FormulaC21H19ClFN3O3S
Molecular Weight447.92 g/mol
Exact Mass447.08
IUPAC Name(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1
InChIInChI=1S/C21H19ClFN3O3S/c22-15-5-3-14-11-17(7-4-13(14)10-15)30(28,29)26-9-1-2-20(26)21(27)25-19-12-16(24)6-8-18(19)23/h3-8,10-12,20H,1-2,9,24H2,(H,25,27)/t20-/m1/s1
InChIKeyMQVNOFILFJOVIM-HXUWFJFHSA-N
XLogP4.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
(2S)-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 8927392
N-(2,5-difluorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 108802633
(2R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468417
(2S)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1468418
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779300
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 4994407

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide (CID 166835448) is (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide is Nc1ccc(F)c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1.
What is the InChIKey of (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is MQVNOFILFJOVIM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19ClFN3O3S/c22-15-5-3-14-11-17(7-4-13(14)10-15)30(28,29)26-9-1-2-20(26)21(27)25-19-12-16(24)6-8-18(19)23/h3-8,10-12,20H,1-2,9,24H2,(H,25,27)/t20-/m1/s1.
What are the key properties of (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166835448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).