methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate

C20H21F2NO6S — CID 26540361

IUPACmethyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1
InChIInChI=1S/C20H21F2NO6S/c1-27-18-11-13(3-10-17(18)29-20(21)22)12-23(15-6-7-15)30(25,26)16-8-4-14(5-9-16)19(24)28-2/h3-5,8-11,15,20H,6-7,12H2,1-2H3
InChIKeyLZIHLLHAXNLABN-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.44
Rot. Bonds9

About methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate

methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate (PubChem CID 26540361) has the molecular formula C20H21F2NO6S and a molecular weight of 441.45 g/mol. Its IUPAC name is methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
PubChem CID26540361
Molecular FormulaC20H21F2NO6S
Molecular Weight441.45 g/mol
Exact Mass441.11
IUPAC Namemethyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1
InChIInChI=1S/C20H21F2NO6S/c1-27-18-11-13(3-10-17(18)29-20(21)22)12-23(15-6-7-15)30(25,26)16-8-4-14(5-9-16)19(24)28-2/h3-5,8-11,15,20H,6-7,12H2,1-2H3
InChIKeyLZIHLLHAXNLABN-UHFFFAOYSA-N
XLogP3.44
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate with MolForge

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Related Compounds

4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
dimethyl 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 24511103
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
4-bromo-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methylbenzenesulfonamide
CID 30329611
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
4-acetyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzenesulfonamide
CID 8817900
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 654569
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate (CID 26540361) is methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)cc1.
What is the InChIKey of methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate?
The InChIKey is LZIHLLHAXNLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO6S/c1-27-18-11-13(3-10-17(18)29-20(21)22)12-23(15-6-7-15)30(25,26)16-8-4-14(5-9-16)19(24)28-2/h3-5,8-11,15,20H,6-7,12H2,1-2H3.
What are the key properties of methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate?
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate has a molecular weight of 441.45 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate is sourced from PubChem (CID 26540361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).