3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide

C19H16ClNO3S2 — CID 9169004

IUPAC3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3S2/c20-16-9-4-8-15(12-16)19(22)21-13-17(14-6-2-1-3-7-14)26(23,24)18-10-5-11-25-18/h1-12,17H,13H2,(H,21,22)/t17-/m0/s1
InChIKeyMAAWIWROYWBWIB-KRWDZBQOSA-N
MW405.93 g/mol
LogP4.35
Rot. Bonds6

About 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide

3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide (PubChem CID 9169004) has the molecular formula C19H16ClNO3S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
PubChem CID9169004
Molecular FormulaC19H16ClNO3S2
Molecular Weight405.93 g/mol
Exact Mass405.03
IUPAC Name3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESO=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3S2/c20-16-9-4-8-15(12-16)19(22)21-13-17(14-6-2-1-3-7-14)26(23,24)18-10-5-11-25-18/h1-12,17H,13H2,(H,21,22)/t17-/m0/s1
InChIKeyMAAWIWROYWBWIB-KRWDZBQOSA-N
XLogP4.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 9168936
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide (CID 9169004) is 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide is O=C(NC[C@@H](c1ccccc1)S(=O)(=O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide?
The InChIKey is MAAWIWROYWBWIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16ClNO3S2/c20-16-9-4-8-15(12-16)19(22)21-13-17(14-6-2-1-3-7-14)26(23,24)18-10-5-11-25-18/h1-12,17H,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide?
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide has a molecular weight of 405.93 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide is sourced from PubChem (CID 9169004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).