N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

C18H19FN2O3S — CID 32681927

IUPACN-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(22)20-16-8-10-17(11-9-16)25(23,24)21-12-2-3-18(21)14-4-6-15(19)7-5-14/h4-11,18H,2-3,12H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyXRIOLYOVDZFAKS-GOSISDBHSA-N
MW362.43 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide

N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 32681927) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
PubChem CID32681927
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-13(22)20-16-8-10-17(11-9-16)25(23,24)21-12-2-3-18(21)14-4-6-15(19)7-5-14/h4-11,18H,2-3,12H2,1H3,(H,20,22)/t18-/m1/s1
InChIKeyXRIOLYOVDZFAKS-GOSISDBHSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
CID 51856123
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
N-[4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926480
N-[4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]phenyl]acetamide
CID 11926481

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide (CID 32681927) is N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is XRIOLYOVDZFAKS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-13(22)20-16-8-10-17(11-9-16)25(23,24)21-12-2-3-18(21)14-4-6-15(19)7-5-14/h4-11,18H,2-3,12H2,1H3,(H,20,22)/t18-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 32681927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).