cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate

C12H15NO5S — CID 65382037

IUPACcyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15NO5S/c1-17-10-5-4-9(6-11(10)19(13,15)16)12(14)18-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16)
InChIKeyUUSNYBDUERUADW-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.91
Rot. Bonds5

About cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate

cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate (PubChem CID 65382037) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
PubChem CID65382037
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Namecyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C12H15NO5S/c1-17-10-5-4-9(6-11(10)19(13,15)16)12(14)18-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16)
InChIKeyUUSNYBDUERUADW-UHFFFAOYSA-N
XLogP0.91
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,4-dimethoxybenzoyl)oxymethyl]cyclohexyl]methyl 3,4-dimethoxybenzoate
CID 20530766
cyclopropylmethyl 4-(dimethylamino)-3-sulfamoylbenzoate
CID 65379621
butyl 4-methoxy-3-sulfamoylbenzoate
CID 60724472
oxolan-3-ylmethyl 3-chlorosulfonyl-4-methoxybenzoate
CID 65373557
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
cyclohexylmethyl 4-acetyloxy-3-methoxybenzoate
CID 75430384
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
oxolan-3-ylmethyl 4-ethyl-3-sulfamoylbenzoate
CID 65380082
oxan-4-ylmethyl 4-amino-3-methoxybenzoate
CID 104783939
cyclopropylmethyl 4-methyl-3-nitro-5-sulfamoylbenzoate
CID 65381431

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate?
The IUPAC name of cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate (CID 65382037) is cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate.
What is the SMILES notation for cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate?
The canonical SMILES for cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate is COc1ccc(C(=O)OCC2CC2)cc1S(N)(=O)=O.
What is the InChIKey of cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate?
The InChIKey is UUSNYBDUERUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-17-10-5-4-9(6-11(10)19(13,15)16)12(14)18-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H2,13,15,16).
What are the key properties of cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate?
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate has a molecular weight of 285.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 65382037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).