methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate

C12H15NO4S — CID 130448245

IUPACmethyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(C)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15NO4S/c1-7-10(11(7)12(14)17-2)8-3-5-9(6-4-8)18(13,15)16/h3-7,10-11H,1-2H3,(H2,13,15,16)
InChIKeyVBDGVPGQRMGYBM-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.86
Rot. Bonds3

About methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate

methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate (PubChem CID 130448245) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
PubChem CID130448245
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(C)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H15NO4S/c1-7-10(11(7)12(14)17-2)8-3-5-9(6-4-8)18(13,15)16/h3-7,10-11H,1-2H3,(H2,13,15,16)
InChIKeyVBDGVPGQRMGYBM-UHFFFAOYSA-N
XLogP0.86
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
5-chloro-2-methoxy-N-[(2R,3S)-2-methyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582257
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
acetamide;4-aminobenzenesulfonamide
CID 175093651
aminourea;4-methylbenzenesulfonamide
CID 174801132
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylate
CID 6921319
trans-(2R,4R)-2,4-bis(4-hydroxyphenyl)-3-methoxycarbonylcyclobutane-1-carboxylic acid
CID 95224847
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
CID 87712134
trans-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020391
methyl 4-imino-3-(4-sulfamoylphenyl)-2-sulfanylidene-1,3-thiazolidine-5-carboxylate
CID 3639086
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
4-aminobenzenesulfonamide;fluoromethane
CID 159574204

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate (CID 130448245) is methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate is COC(=O)C1C(C)C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
The InChIKey is VBDGVPGQRMGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-7-10(11(7)12(14)17-2)8-3-5-9(6-4-8)18(13,15)16/h3-7,10-11H,1-2H3,(H2,13,15,16).
What are the key properties of methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate?
methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 130448245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).