methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate

C17H17F2N3O6S — CID 19615013

IUPACmethyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cn(C(F)F)nc2C)o1
InChIInChI=1S/C17H17F2N3O6S/c1-11-15(10-22(20-11)17(18)19)29(24,25)21(8-12-4-3-7-27-12)9-13-5-6-14(28-13)16(23)26-2/h3-7,10,17H,8-9H2,1-2H3
InChIKeyLKOCIPDMSVLCBU-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.95
Rot. Bonds8

About methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate (PubChem CID 19615013) has the molecular formula C17H17F2N3O6S and a molecular weight of 429.40 g/mol. Its IUPAC name is methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
PubChem CID19615013
Molecular FormulaC17H17F2N3O6S
Molecular Weight429.40 g/mol
Exact Mass429.08
IUPAC Namemethyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cn(C(F)F)nc2C)o1
InChIInChI=1S/C17H17F2N3O6S/c1-11-15(10-22(20-11)17(18)19)29(24,25)21(8-12-4-3-7-27-12)9-13-5-6-14(28-13)16(23)26-2/h3-7,10,17H,8-9H2,1-2H3
InChIKeyLKOCIPDMSVLCBU-UHFFFAOYSA-N
XLogP2.95
TPSA107.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
2-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]-6-methylindazole-4-sulfonamide
CID 168793753
methyl 5-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]furan-2-carboxylate
CID 2695484
1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089869
methyl 2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)sulfamoyl]benzoate
CID 1161828
1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 46957565
N-[3-[bis(furan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55365023
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
methyl 5-[[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]furan-2-carboxylate
CID 2695500
(5-methoxycarbonylfuran-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732098
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
methyl (4E)-4-[[5-[[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-yl]methylidene]-1-(furan-2-ylmethyl)-2-methyl-5-oxopyrrole-3-carboxylate
CID 126015494

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate (CID 19615013) is methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2cn(C(F)F)nc2C)o1.
What is the InChIKey of methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is LKOCIPDMSVLCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O6S/c1-11-15(10-22(20-11)17(18)19)29(24,25)21(8-12-4-3-7-27-12)9-13-5-6-14(28-13)16(23)26-2/h3-7,10,17H,8-9H2,1-2H3.
What are the key properties of methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 429.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 19615013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).