methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate

C17H17NO4S — CID 4793271

IUPACmethyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NO4S/c1-22-17(19)15-7-2-3-8-16(15)18-23(20,21)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,18H,4-6H2,1H3
InChIKeyUERULMDVBIEEDD-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate

methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate (PubChem CID 4793271) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
PubChem CID4793271
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H17NO4S/c1-22-17(19)15-7-2-3-8-16(15)18-23(20,21)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,18H,4-6H2,1H3
InChIKeyUERULMDVBIEEDD-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)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-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041
methyl 2-[(2,4-dioxo-1,5-dihydro-1,5-benzodiazepin-7-yl)sulfonylamino]benzoate
CID 20876182
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
methyl 2-[[4-(cyclopropanecarbonyl)phenyl]sulfonylamino]benzoate
CID 110424063
methyl 3,4,5-trimethoxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoate
CID 55362483
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
methyl 2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 126458941

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate (CID 4793271) is methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate?
The InChIKey is UERULMDVBIEEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-22-17(19)15-7-2-3-8-16(15)18-23(20,21)14-10-9-12-5-4-6-13(12)11-14/h2-3,7-11,18H,4-6H2,1H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate?
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate has a molecular weight of 331.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate is sourced from PubChem (CID 4793271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).