(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C21H19FN2O3S — CID 8779300

IUPAC(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19FN2O3S/c22-17-7-3-8-18(14-17)23-21(25)20-9-4-12-24(20)28(26,27)19-11-10-15-5-1-2-6-16(15)13-19/h1-3,5-8,10-11,13-14,20H,4,9,12H2,(H,23,25)/t20-/m0/s1
InChIKeyYIGQZBCEWIRUSD-FQEVSTJZSA-N
MW398.46 g/mol
LogP3.77
Rot. Bonds4

About (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 8779300) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID8779300
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H19FN2O3S/c22-17-7-3-8-18(14-17)23-21(25)20-9-4-12-24(20)28(26,27)19-11-10-15-5-1-2-6-16(15)13-19/h1-3,5-8,10-11,13-14,20H,4,9,12H2,(H,23,25)/t20-/m0/s1
InChIKeyYIGQZBCEWIRUSD-FQEVSTJZSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 4994407
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 123755413
(2S)-1-(4-fluorophenyl)sulfonyl-N-(3-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 40799614
1-(4-fluorophenyl)sulfonyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 43019338
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
1-(4-fluorophenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 18150594
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 8779300) is (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1cccc(F)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YIGQZBCEWIRUSD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-17-7-3-8-18(14-17)23-21(25)20-9-4-12-24(20)28(26,27)19-11-10-15-5-1-2-6-16(15)13-19/h1-3,5-8,10-11,13-14,20H,4,9,12H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 8779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).