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

C17H14ClNO4S2 — CID 7268351

IUPAC4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO4S2/c18-13-7-5-12(6-8-13)17(20)19-11-15(14-3-1-9-23-14)25(21,22)16-4-2-10-24-16/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1
InChIKeyHSVXSXQCEVVEIL-HNNXBMFYSA-N
MW395.89 g/mol
LogP3.94
Rot. Bonds6

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

4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide (PubChem CID 7268351) has the molecular formula C17H14ClNO4S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
PubChem CID7268351
Molecular FormulaC17H14ClNO4S2
Molecular Weight395.89 g/mol
Exact Mass395.01
IUPAC Name4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO4S2/c18-13-7-5-12(6-8-13)17(20)19-11-15(14-3-1-9-23-14)25(21,22)16-4-2-10-24-16/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1
InChIKeyHSVXSXQCEVVEIL-HNNXBMFYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 40774983
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 7268311
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 26842848
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N'-cyclopropyl-N-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584668
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 40778166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide (CID 7268351) is 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide is O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The InChIKey is HSVXSXQCEVVEIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H14ClNO4S2/c18-13-7-5-12(6-8-13)17(20)19-11-15(14-3-1-9-23-14)25(21,22)16-4-2-10-24-16/h1-10,15H,11H2,(H,19,20)/t15-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide?
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 3.94, 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-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide is sourced from PubChem (CID 7268351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).