N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C18H14ClFN2O3S2 — CID 4229681

IUPACN-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C18H14ClFN2O3S2/c19-13-3-1-4-14(10-13)22-18(23)12-6-7-16(20)17(9-12)27(24,25)21-11-15-5-2-8-26-15/h1-10,21H,11H2,(H,22,23)
InChIKeyYUKWDCNWSHYLAY-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.27
Rot. Bonds6

About N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 4229681) has the molecular formula C18H14ClFN2O3S2 and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID4229681
Molecular FormulaC18H14ClFN2O3S2
Molecular Weight424.91 g/mol
Exact Mass424.01
IUPAC NameN-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C18H14ClFN2O3S2/c19-13-3-1-4-14(10-13)22-18(23)12-6-7-16(20)17(9-12)27(24,25)21-11-15-5-2-8-26-15/h1-10,21H,11H2,(H,22,23)
InChIKeyYUKWDCNWSHYLAY-UHFFFAOYSA-N
XLogP4.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 4229681) is N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is YUKWDCNWSHYLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S2/c19-13-3-1-4-14(10-13)22-18(23)12-6-7-16(20)17(9-12)27(24,25)21-11-15-5-2-8-26-15/h1-10,21H,11H2,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 4229681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).