5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C16H14ClFN4O4S — CID 53183039

IUPAC5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)o1
InChIInChI=1S/C16H14ClFN4O4S/c1-22(2)16(23)10-8-19-20-15(10)13-5-6-14(26-13)27(24,25)21-12-4-3-9(18)7-11(12)17/h3-8,21H,1-2H3,(H,19,20)
InChIKeyGVSNKUHIKYTOEJ-UHFFFAOYSA-N
MW412.83 g/mol
LogP2.96
Rot. Bonds5

About 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 53183039) has the molecular formula C16H14ClFN4O4S and a molecular weight of 412.83 g/mol. Its IUPAC name is 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID53183039
Molecular FormulaC16H14ClFN4O4S
Molecular Weight412.83 g/mol
Exact Mass412.04
IUPAC Name5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)o1
InChIInChI=1S/C16H14ClFN4O4S/c1-22(2)16(23)10-8-19-20-15(10)13-5-6-14(26-13)27(24,25)21-12-4-3-9(18)7-11(12)17/h3-8,21H,1-2H3,(H,19,20)
InChIKeyGVSNKUHIKYTOEJ-UHFFFAOYSA-N
XLogP2.96
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 53183039) is 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)o1.
What is the InChIKey of 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GVSNKUHIKYTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O4S/c1-22(2)16(23)10-8-19-20-15(10)13-5-6-14(26-13)27(24,25)21-12-4-3-9(18)7-11(12)17/h3-8,21H,1-2H3,(H,19,20).
What are the key properties of 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 412.83 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53183039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).