methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate

C17H17NO5S — CID 110705670

IUPACmethyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO5S/c1-22-17(19)14-6-2-3-7-15(14)18-24(20,21)13-8-9-16-12(11-13)5-4-10-23-16/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyCBBJORZVBMMXOS-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate

methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate (PubChem CID 110705670) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
PubChem CID110705670
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Namemethyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO5S/c1-22-17(19)14-6-2-3-7-15(14)18-24(20,21)13-8-9-16-12(11-13)5-4-10-23-16/h2-3,6-9,11,18H,4-5,10H2,1H3
InChIKeyCBBJORZVBMMXOS-UHFFFAOYSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
4-phenyl-2-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylsulfonylamino)benzoic acid
CID 158681936
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
CID 47092045
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 41408334
methyl 2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoate
CID 43624266
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
methyl 2-[[1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonylamino]benzoate
CID 17248041
(3-methoxyphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 35516996

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate?
The IUPAC name of methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate (CID 110705670) is methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate.
What is the SMILES notation for methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate?
The canonical SMILES for methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCO2.
What is the InChIKey of methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate?
The InChIKey is CBBJORZVBMMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-22-17(19)14-6-2-3-7-15(14)18-24(20,21)13-8-9-16-12(11-13)5-4-10-23-16/h2-3,6-9,11,18H,4-5,10H2,1H3.
What are the key properties of methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate?
methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate has a molecular weight of 347.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate is sourced from PubChem (CID 110705670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).