4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

C21H19BrN2O4S — CID 42272378

IUPAC4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyAJXUCLDHNQUGDK-FQEVSTJZSA-N
MW475.36 g/mol
LogP3.80
Rot. Bonds7

About 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide

4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (PubChem CID 42272378) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
PubChem CID42272378
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)cc2)c2cccnc2)cc1
InChIInChI=1S/C21H19BrN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyAJXUCLDHNQUGDK-FQEVSTJZSA-N
XLogP3.80
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766
4-fluoro-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9156809
N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 9156623
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(2-methylpropyl)oxamide
CID 9156975
N'-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-N-propyloxamide
CID 9156929
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
4-tert-butyl-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007693
4-chloro-N-[2-(4-ethoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21007712
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361
N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
4-tert-butyl-N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide (CID 42272378) is 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc(Br)cc2)c2cccnc2)cc1.
What is the InChIKey of 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
The InChIKey is AJXUCLDHNQUGDK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c1-28-18-8-10-19(11-9-18)29(26,27)20(16-3-2-12-23-13-16)14-24-21(25)15-4-6-17(22)7-5-15/h2-13,20H,14H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide?
4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide has a molecular weight of 475.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 42272378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).