N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide

C19H17FN2O4S2 — CID 78897097

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H17FN2O4S2/c20-15-8-6-13(7-9-15)17(23)12-21-19(24)14-3-1-4-16(11-14)22-28(25,26)18-5-2-10-27-18/h1-11,17,22-23H,12H2,(H,21,24)
InChIKeyVKAHNBAFEVMQNC-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78897097) has the molecular formula C19H17FN2O4S2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78897097
Molecular FormulaC19H17FN2O4S2
Molecular Weight420.49 g/mol
Exact Mass420.06
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H17FN2O4S2/c20-15-8-6-13(7-9-15)17(23)12-21-19(24)14-3-1-4-16(11-14)22-28(25,26)18-5-2-10-27-18/h1-11,17,22-23H,12H2,(H,21,24)
InChIKeyVKAHNBAFEVMQNC-UHFFFAOYSA-N
XLogP3.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(methylsulfamoyl)benzamide
CID 78866825
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786642
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 78897097) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(NCC(O)c1ccc(F)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VKAHNBAFEVMQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S2/c20-15-8-6-13(7-9-15)17(23)12-21-19(24)14-3-1-4-16(11-14)22-28(25,26)18-5-2-10-27-18/h1-11,17,22-23H,12H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78897097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).