2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide

C18H16ClFN4O3S — CID 32610273

IUPAC2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C18H16ClFN4O3S/c1-23-11-13(10-21-23)22-18(25)16-9-15(7-8-17(16)19)28(26,27)24(2)14-5-3-12(20)4-6-14/h3-11H,1-2H3,(H,22,25)
InChIKeyBCTADGHGLYEMEL-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide

2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32610273) has the molecular formula C18H16ClFN4O3S and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32610273
Molecular FormulaC18H16ClFN4O3S
Molecular Weight422.87 g/mol
Exact Mass422.06
IUPAC Name2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C)c2)c1
InChIInChI=1S/C18H16ClFN4O3S/c1-23-11-13(10-21-23)22-18(25)16-9-15(7-8-17(16)19)28(26,27)24(2)14-5-3-12(20)4-6-14/h3-11H,1-2H3,(H,22,25)
InChIKeyBCTADGHGLYEMEL-UHFFFAOYSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 32610273) is 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide is CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(C)c2)c1.
What is the InChIKey of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is BCTADGHGLYEMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3S/c1-23-11-13(10-21-23)22-18(25)16-9-15(7-8-17(16)19)28(26,27)24(2)14-5-3-12(20)4-6-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide?
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 422.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32610273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).