5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C17H16F2N4O4S — CID 53183245

IUPAC5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H16F2N4O4S/c1-9-15(28(25,26)22-12-5-10(18)4-11(19)6-12)7-14(27-9)16-13(8-20-21-16)17(24)23(2)3/h4-8,22H,1-3H3,(H,20,21)
InChIKeyULKAHNLTLLSWIQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.76
Rot. Bonds5

About 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 53183245) has the molecular formula C17H16F2N4O4S and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID53183245
Molecular FormulaC17H16F2N4O4S
Molecular Weight410.40 g/mol
Exact Mass410.09
IUPAC Name5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H16F2N4O4S/c1-9-15(28(25,26)22-12-5-10(18)4-11(19)6-12)7-14(27-9)16-13(8-20-21-16)17(24)23(2)3/h4-8,22H,1-3H3,(H,20,21)
InChIKeyULKAHNLTLLSWIQ-UHFFFAOYSA-N
XLogP2.76
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183202
5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183215
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
5-[5-[(3-chloro-4-methoxyphenyl)sulfamoyl]furan-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183028
N-[(3-fluorophenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183099
5-[(3-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79054686
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183070
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183136
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867044
N-(3,4-difluorophenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163430
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 53183245) is 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is Cc1oc(-c2[nH]ncc2C(=O)N(C)C)cc1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ULKAHNLTLLSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O4S/c1-9-15(28(25,26)22-12-5-10(18)4-11(19)6-12)7-14(27-9)16-13(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-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53183245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).