3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide

C17H19ClN2O3S — CID 9154652

IUPAC3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)CCCl)c2cccnc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-4-6-15(7-5-13)24(22,23)16(12-20-17(21)8-9-18)14-3-2-10-19-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyNUBDPPBPBQFGEV-MRXNPFEDSA-N
MW366.87 g/mol
LogP2.65
Rot. Bonds7

About 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide

3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide (PubChem CID 9154652) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
PubChem CID9154652
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
SMILESCc1ccc(S(=O)(=O)[C@H](CNC(=O)CCCl)c2cccnc2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-13-4-6-15(7-5-13)24(22,23)16(12-20-17(21)8-9-18)14-3-2-10-19-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyNUBDPPBPBQFGEV-MRXNPFEDSA-N
XLogP2.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.65
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-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
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
3-chloro-N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyridin-3-ylethyl]propanamide
CID 9158209
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
2-(4-methoxyphenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794316
2-chloro-N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 9157462
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
N'-[(2R)-butan-2-yl]-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155188
N-[(2R)-2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-4-methylbenzamide
CID 9156766

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide (CID 9154652) is 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide is Cc1ccc(S(=O)(=O)[C@H](CNC(=O)CCCl)c2cccnc2)cc1.
What is the InChIKey of 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide?
The InChIKey is NUBDPPBPBQFGEV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-13-4-6-15(7-5-13)24(22,23)16(12-20-17(21)8-9-18)14-3-2-10-19-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide?
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide has a molecular weight of 366.87 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 9154652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).