N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C21H19N3O4S — CID 4161015

IUPACN-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H19N3O4S/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(16-6-3-2-4-7-16)24(22-18)21(25)20-8-5-13-28-20/h2-13,19,23H,14H2,1H3
InChIKeyTVMFRIZMCDXSPW-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 4161015) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID4161015
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H19N3O4S/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(16-6-3-2-4-7-16)24(22-18)21(25)20-8-5-13-28-20/h2-13,19,23H,14H2,1H3
InChIKeyTVMFRIZMCDXSPW-UHFFFAOYSA-N
XLogP3.64
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 4161015) is N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is TVMFRIZMCDXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-29(26,27)23-17-11-9-15(10-12-17)18-14-19(16-6-3-2-4-7-16)24(22-18)21(25)20-8-5-13-28-20/h2-13,19,23H,14H2,1H3.
What are the key properties of N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 4161015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).