2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

C17H19ClN2O3S — CID 9157462

IUPAC2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2cccnc2)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-6-15(8-13(12)2)24(22,23)16(11-20-17(21)9-18)14-4-3-7-19-10-14/h3-8,10,16H,9,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyXCJYJGUXVPVAMT-INIZCTEOSA-N
MW366.87 g/mol
LogP2.57
Rot. Bonds6

About 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide

2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (PubChem CID 9157462) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
PubChem CID9157462
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2cccnc2)cc1C
InChIInChI=1S/C17H19ClN2O3S/c1-12-5-6-15(8-13(12)2)24(22,23)16(11-20-17(21)9-18)14-4-3-7-19-10-14/h3-8,10,16H,9,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyXCJYJGUXVPVAMT-INIZCTEOSA-N
XLogP2.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9157472
N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 9157423
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]thiophene-2-carboxamide
CID 9157485
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-fluorobenzamide
CID 9157535
(E)-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylprop-2-enamide
CID 9157609
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 38997835
3-chloro-N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]propanamide
CID 9158209
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
N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 38997861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide (CID 9157462) is 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)CCl)c2cccnc2)cc1C.
What is the InChIKey of 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
The InChIKey is XCJYJGUXVPVAMT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-5-6-15(8-13(12)2)24(22,23)16(11-20-17(21)9-18)14-4-3-7-19-10-14/h3-8,10,16H,9,11H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide?
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide has a molecular weight of 366.87 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 9157462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).