N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C21H18BrFN2O3S — CID 123755413

IUPACN-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18BrFN2O3S/c22-16-8-10-19(18(23)13-16)24-21(26)20-6-3-11-25(20)29(27,28)17-9-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-10,12-13,20H,3,6,11H2,(H,24,26)
InChIKeyWRPJNGLDNZTTSX-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.53
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 123755413) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID123755413
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H18BrFN2O3S/c22-16-8-10-19(18(23)13-16)24-21(26)20-6-3-11-25(20)29(27,28)17-9-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-10,12-13,20H,3,6,11H2,(H,24,26)
InChIKeyWRPJNGLDNZTTSX-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-hydroxy-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 4009717
1-(4-bromophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-2-carboxamide
CID 42933740
(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
(2R)-N-(2-cyanophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 8779328
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-N-(5-amino-2-fluorophenyl)-1-(6-chloronaphthalen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 166835448
(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)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 123755413) is N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WRPJNGLDNZTTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c22-16-8-10-19(18(23)13-16)24-21(26)20-6-3-11-25(20)29(27,28)17-9-7-14-4-1-2-5-15(14)12-17/h1-2,4-5,7-10,12-13,20H,3,6,11H2,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 477.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).