1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

C21H20ClFN2O4S2 — CID 20996538

IUPAC1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCc1cc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccccc2Cl)c2cccnc2)ccc1F
InChIInChI=1S/C21H20ClFN2O4S2/c1-15-11-18(8-9-20(15)23)31(28,29)21(16-6-4-10-24-12-16)13-25-30(26,27)14-17-5-2-3-7-19(17)22/h2-12,21,25H,13-14H2,1H3
InChIKeyQJCUMXVQENWNKH-UHFFFAOYSA-N
MW482.99 g/mol
LogP3.82
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (PubChem CID 20996538) has the molecular formula C21H20ClFN2O4S2 and a molecular weight of 482.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
PubChem CID20996538
Molecular FormulaC21H20ClFN2O4S2
Molecular Weight482.99 g/mol
Exact Mass482.05
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
SMILESCc1cc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccccc2Cl)c2cccnc2)ccc1F
InChIInChI=1S/C21H20ClFN2O4S2/c1-15-11-18(8-9-20(15)23)31(28,29)21(16-6-4-10-24-12-16)13-25-30(26,27)14-17-5-2-3-7-19(17)22/h2-12,21,25H,13-14H2,1H3
InChIKeyQJCUMXVQENWNKH-UHFFFAOYSA-N
XLogP3.82
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 20996539
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 21007653
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 40903729
4-fluoro-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 20996520
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzenesulfonamide
CID 20996522
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 9156145
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9156197
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylethanesulfonamide
CID 21002129
1-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide
CID 21002179
3-bromo-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007624

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide (CID 20996538) is 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is Cc1cc(S(=O)(=O)C(CNS(=O)(=O)Cc2ccccc2Cl)c2cccnc2)ccc1F.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
The InChIKey is QJCUMXVQENWNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O4S2/c1-15-11-18(8-9-20(15)23)31(28,29)21(16-6-4-10-24-12-16)13-25-30(26,27)14-17-5-2-3-7-19(17)22/h2-12,21,25H,13-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide has a molecular weight of 482.99 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 20996538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).