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

C17H16ClFN4O4S — CID 53183247

IUPAC5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H16ClFN4O4S/c1-9-15(28(25,26)22-13-5-4-10(18)6-12(13)19)7-14(27-9)16-11(8-20-21-16)17(24)23(2)3/h4-8,22H,1-3H3,(H,20,21)
InChIKeySSLXCTQJGNGNPG-UHFFFAOYSA-N
MW426.86 g/mol
LogP3.27
Rot. Bonds5

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

5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 53183247) has the molecular formula C17H16ClFN4O4S and a molecular weight of 426.86 g/mol. Its IUPAC name is 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID53183247
Molecular FormulaC17H16ClFN4O4S
Molecular Weight426.86 g/mol
Exact Mass426.06
IUPAC Name5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H16ClFN4O4S/c1-9-15(28(25,26)22-13-5-4-10(18)6-12(13)19)7-14(27-9)16-11(8-20-21-16)17(24)23(2)3/h4-8,22H,1-3H3,(H,20,21)
InChIKeySSLXCTQJGNGNPG-UHFFFAOYSA-N
XLogP3.27
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 53183247) is 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is Cc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is SSLXCTQJGNGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O4S/c1-9-15(28(25,26)22-13-5-4-10(18)6-12(13)19)7-14(27-9)16-11(8-20-21-16)17(24)23(2)3/h4-8,22H,1-3H3,(H,20,21).
What are the key properties of 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53183247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).