4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C18H14ClFN2O3S2 — CID 35008871

IUPAC4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H14ClFN2O3S2/c19-16-8-3-12(18(23)21-11-15-2-1-9-26-15)10-17(16)27(24,25)22-14-6-4-13(20)5-7-14/h1-10,22H,11H2,(H,21,23)
InChIKeyZRYKRAOTTFHCBF-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.27
Rot. Bonds6

About 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 35008871) has the molecular formula C18H14ClFN2O3S2 and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID35008871
Molecular FormulaC18H14ClFN2O3S2
Molecular Weight424.91 g/mol
Exact Mass424.01
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H14ClFN2O3S2/c19-16-8-3-12(18(23)21-11-15-2-1-9-26-15)10-17(16)27(24,25)22-14-6-4-13(20)5-7-14/h1-10,22H,11H2,(H,21,23)
InChIKeyZRYKRAOTTFHCBF-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 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 35008871) is 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZRYKRAOTTFHCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3S2/c19-16-8-3-12(18(23)21-11-15-2-1-9-26-15)10-17(16)27(24,25)22-14-6-4-13(20)5-7-14/h1-10,22H,11H2,(H,21,23).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)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 4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 35008871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).