N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide

C19H15ClFNO3S2 — CID 27546075

IUPACN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
SMILESO=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H15ClFNO3S2/c20-14-6-8-16(9-7-14)27(24,25)18(17-5-2-10-26-17)12-22-19(23)13-3-1-4-15(21)11-13/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1
InChIKeyARESOFZMOJRABX-GOSISDBHSA-N
MW423.92 g/mol
LogP4.49
Rot. Bonds6

About N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide

N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide (PubChem CID 27546075) has the molecular formula C19H15ClFNO3S2 and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
PubChem CID27546075
Molecular FormulaC19H15ClFNO3S2
Molecular Weight423.92 g/mol
Exact Mass423.02
IUPAC NameN-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
SMILESO=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C19H15ClFNO3S2/c20-14-6-8-16(9-7-14)27(24,25)18(17-5-2-10-26-17)12-22-19(23)13-3-1-4-15(21)11-13/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1
InChIKeyARESOFZMOJRABX-GOSISDBHSA-N
XLogP4.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 27555335

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide (CID 27546075) is N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide is O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide?
The InChIKey is ARESOFZMOJRABX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClFNO3S2/c20-14-6-8-16(9-7-14)27(24,25)18(17-5-2-10-26-17)12-22-19(23)13-3-1-4-15(21)11-13/h1-11,18H,12H2,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide?
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide has a molecular weight of 423.92 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide is sourced from PubChem (CID 27546075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).