4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide

C20H18F2N2O4S2 — CID 20996520

IUPAC4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)ccc1F
InChIInChI=1S/C20H18F2N2O4S2/c1-14-11-18(8-9-19(14)22)29(25,26)20(15-3-2-10-23-12-15)13-24-30(27,28)17-6-4-16(21)5-7-17/h2-12,20,24H,13H2,1H3
InChIKeyGRXPEVYHJFWGBT-UHFFFAOYSA-N
MW452.50 g/mol
LogP3.16
Rot. Bonds7

About 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide

4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 20996520) has the molecular formula C20H18F2N2O4S2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID20996520
Molecular FormulaC20H18F2N2O4S2
Molecular Weight452.50 g/mol
Exact Mass452.07
IUPAC Name4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)ccc1F
InChIInChI=1S/C20H18F2N2O4S2/c1-14-11-18(8-9-19(14)22)29(25,26)20(15-3-2-10-23-12-15)13-24-30(27,28)17-6-4-16(21)5-7-17/h2-12,20,24H,13H2,1H3
InChIKeyGRXPEVYHJFWGBT-UHFFFAOYSA-N
XLogP3.16
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 40903729
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996538
N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 21007728
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
3-bromo-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007624
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3,4,5-trimethoxybenzamide
CID 21007633
4-fluoro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 41193186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide (CID 20996520) is 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)C(CNS(=O)(=O)c2ccc(F)cc2)c2cccnc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is GRXPEVYHJFWGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S2/c1-14-11-18(8-9-19(14)22)29(25,26)20(15-3-2-10-23-12-15)13-24-30(27,28)17-6-4-16(21)5-7-17/h2-12,20,24H,13H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 452.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 20996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).