2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C21H18ClFN2O3S — CID 16957784

IUPAC2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2Cl)c2cccnc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-7-9-16(10-8-14)29(27,28)19(15-4-3-11-24-12-15)13-25-21(26)20-17(22)5-2-6-18(20)23/h2-12,19H,13H2,1H3,(H,25,26)
InChIKeyYLGYKFCRGIFHAF-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.13
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 16957784) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID16957784
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2Cl)c2cccnc2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-14-7-9-16(10-8-14)29(27,28)19(15-4-3-11-24-12-15)13-25-21(26)20-17(22)5-2-6-18(20)23/h2-12,19H,13H2,1H3,(H,25,26)
InChIKeyYLGYKFCRGIFHAF-UHFFFAOYSA-N
XLogP4.13
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
2-fluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155660
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methoxybenzamide
CID 21002101
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 16957784) is 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is Cc1ccc(S(=O)(=O)C(CNC(=O)c2c(F)cccc2Cl)c2cccnc2)cc1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is YLGYKFCRGIFHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-14-7-9-16(10-8-14)29(27,28)19(15-4-3-11-24-12-15)13-25-21(26)20-17(22)5-2-6-18(20)23/h2-12,19H,13H2,1H3,(H,25,26).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 432.90 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 16957784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).