methyl 4-(dicyclopropylmethylsulfamoyl)benzoate

C15H19NO4S — CID 31847332

IUPACmethyl 4-(dicyclopropylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H19NO4S/c1-20-15(17)12-6-8-13(9-7-12)21(18,19)16-14(10-2-3-10)11-4-5-11/h6-11,14,16H,2-5H2,1H3
InChIKeyOVFRPEBKUXANCI-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.94
Rot. Bonds6

About methyl 4-(dicyclopropylmethylsulfamoyl)benzoate

methyl 4-(dicyclopropylmethylsulfamoyl)benzoate (PubChem CID 31847332) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is methyl 4-(dicyclopropylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(dicyclopropylmethylsulfamoyl)benzoate
PubChem CID31847332
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Namemethyl 4-(dicyclopropylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C15H19NO4S/c1-20-15(17)12-6-8-13(9-7-12)21(18,19)16-14(10-2-3-10)11-4-5-11/h6-11,14,16H,2-5H2,1H3
InChIKeyOVFRPEBKUXANCI-UHFFFAOYSA-N
XLogP1.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dicyclopropylmethylsulfamoyl)benzoic acid
CID 60715455
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
CID 43624280
methyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)sulfamoyl]benzoate
CID 17411637
methyl 4-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]benzoate
CID 40855028
2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
methyl 4-(2-methylpropoxysulfamoyl)benzoate
CID 82715916
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993

Frequently Asked Questions

What is the IUPAC name of methyl 4-(dicyclopropylmethylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(dicyclopropylmethylsulfamoyl)benzoate (CID 31847332) is methyl 4-(dicyclopropylmethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(dicyclopropylmethylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(dicyclopropylmethylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of methyl 4-(dicyclopropylmethylsulfamoyl)benzoate?
The InChIKey is OVFRPEBKUXANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-20-15(17)12-6-8-13(9-7-12)21(18,19)16-14(10-2-3-10)11-4-5-11/h6-11,14,16H,2-5H2,1H3.
What are the key properties of methyl 4-(dicyclopropylmethylsulfamoyl)benzoate?
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate has a molecular weight of 309.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(dicyclopropylmethylsulfamoyl)benzoate is sourced from PubChem (CID 31847332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).