4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide

C18H15ClN2O3S2 — CID 9152261

IUPAC4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-7-5-13(6-8-15)18(22)21-12-16(14-3-1-9-20-11-14)26(23,24)17-4-2-10-25-17/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1
InChIKeyGFGURNIILOPGFA-MRXNPFEDSA-N
MW406.92 g/mol
LogP3.74
Rot. Bonds6

About 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide

4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide (PubChem CID 9152261) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
PubChem CID9152261
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S2/c19-15-7-5-13(6-8-15)18(22)21-12-16(14-3-1-9-20-11-14)26(23,24)17-4-2-10-25-17/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1
InChIKeyGFGURNIILOPGFA-MRXNPFEDSA-N
XLogP3.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 40903674
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[2-(4-chlorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 21002140
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide (CID 9152261) is 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide?
The InChIKey is GFGURNIILOPGFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c19-15-7-5-13(6-8-15)18(22)21-12-16(14-3-1-9-20-11-14)26(23,24)17-4-2-10-25-17/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide?
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide has a molecular weight of 406.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide is sourced from PubChem (CID 9152261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).