5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide

C16H16N4O4S — CID 46412122

IUPAC5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C16H16N4O4S/c1-11-4-5-14(25(22,23)19-10-13-3-2-6-24-13)7-15(11)16(21)20-12-8-17-18-9-12/h2-9,19H,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyWOCINDHTXWKQJI-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.04
Rot. Bonds6

About 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide

5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 46412122) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
PubChem CID46412122
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C16H16N4O4S/c1-11-4-5-14(25(22,23)19-10-13-3-2-6-24-13)7-15(11)16(21)20-12-8-17-18-9-12/h2-9,19H,10H2,1H3,(H,17,18)(H,20,21)
InChIKeyWOCINDHTXWKQJI-UHFFFAOYSA-N
XLogP2.04
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412123
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 30859891
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[3-[[3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenyl]benzamide
CID 167784128
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
3-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]-2-methylpropanoic acid
CID 119237132
methyl 6-[[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]amino]hexanoate
CID 55349906
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 78863657

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide (CID 46412122) is 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is WOCINDHTXWKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-11-4-5-14(25(22,23)19-10-13-3-2-6-24-13)7-15(11)16(21)20-12-8-17-18-9-12/h2-9,19H,10H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide?
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 360.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 46412122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).