methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate

C18H17NO5S — CID 110424063

IUPACmethyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C18H17NO5S/c1-24-18(21)15-4-2-3-5-16(15)19-25(22,23)14-10-8-13(9-11-14)17(20)12-6-7-12/h2-5,8-12,19H,6-7H2,1H3
InChIKeyRZQWJVPFIDCDDJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.87
Rot. Bonds6

About methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate

methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate (PubChem CID 110424063) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
PubChem CID110424063
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Namemethyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C18H17NO5S/c1-24-18(21)15-4-2-3-5-16(15)19-25(22,23)14-10-8-13(9-11-14)17(20)12-6-7-12/h2-5,8-12,19H,6-7H2,1H3
InChIKeyRZQWJVPFIDCDDJ-UHFFFAOYSA-N
XLogP2.87
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 110423293
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
methyl 2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22694712
methyl 2-[(4-hexadecoxyphenyl)sulfonylamino]benzoate
CID 15002142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate (CID 110424063) is methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate?
The InChIKey is RZQWJVPFIDCDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-24-18(21)15-4-2-3-5-16(15)19-25(22,23)14-10-8-13(9-11-14)17(20)12-6-7-12/h2-5,8-12,19H,6-7H2,1H3.
What are the key properties of methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate?
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate has a molecular weight of 359.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 110424063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).