methyl benzoate;(sulfamoylamino)benzene

C14H16N2O4S — CID 174928336

IUPACmethyl benzoate;(sulfamoylamino)benzene
SMILESCOC(=O)c1ccccc1.NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C8H8O2.C6H8N2O2S/c1-10-8(9)7-5-3-2-4-6-7;7-11(9,10)8-6-4-2-1-3-5-6/h2-6H,1H3;1-5,8H,(H2,7,9,10)
InChIKeyYMXAJBSYIQHTSN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.78
Rot. Bonds3

About methyl benzoate;(sulfamoylamino)benzene

methyl benzoate;(sulfamoylamino)benzene (PubChem CID 174928336) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl benzoate;(sulfamoylamino)benzene.

Molecular Properties

Compound Namemethyl benzoate;(sulfamoylamino)benzene
PubChem CID174928336
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl benzoate;(sulfamoylamino)benzene
SMILESCOC(=O)c1ccccc1.NS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C8H8O2.C6H8N2O2S/c1-10-8(9)7-5-3-2-4-6-7;7-11(9,10)8-6-4-2-1-3-5-6/h2-6H,1H3;1-5,8H,(H2,7,9,10)
InChIKeyYMXAJBSYIQHTSN-UHFFFAOYSA-N
XLogP1.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl acetate;(sulfamoylamino)benzene
CID 174769394
benzene;(sulfamoylamino)benzene
CID 174742453
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
ethane;methoxymethane;methyl benzoate
CID 90999424
methyl benzoate;sulfuryl dichloride;toluene
CID 162034075
methyl benzoate azide
CID 161139797
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
bromobenzene;methyl benzoate
CID 175243928
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964

Frequently Asked Questions

What is the IUPAC name of methyl benzoate;(sulfamoylamino)benzene?
The IUPAC name of methyl benzoate;(sulfamoylamino)benzene (CID 174928336) is methyl benzoate;(sulfamoylamino)benzene.
What is the SMILES notation for methyl benzoate;(sulfamoylamino)benzene?
The canonical SMILES for methyl benzoate;(sulfamoylamino)benzene is COC(=O)c1ccccc1.NS(=O)(=O)Nc1ccccc1.
What is the InChIKey of methyl benzoate;(sulfamoylamino)benzene?
The InChIKey is YMXAJBSYIQHTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C6H8N2O2S/c1-10-8(9)7-5-3-2-4-6-7;7-11(9,10)8-6-4-2-1-3-5-6/h2-6H,1H3;1-5,8H,(H2,7,9,10).
What are the key properties of methyl benzoate;(sulfamoylamino)benzene?
methyl benzoate;(sulfamoylamino)benzene has a molecular weight of 308.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl benzoate;(sulfamoylamino)benzene is sourced from PubChem (CID 174928336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).