methyl 2-(benzylsulfamoylamino)acetate

C10H14N2O4S — CID 44590260

IUPACmethyl 2-(benzylsulfamoylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)8-12-17(14,15)11-7-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
InChIKeyHTDJZCSYRPVDNM-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.22
Rot. Bonds6

About methyl 2-(benzylsulfamoylamino)acetate

methyl 2-(benzylsulfamoylamino)acetate (PubChem CID 44590260) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-(benzylsulfamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(benzylsulfamoylamino)acetate
PubChem CID44590260
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-(benzylsulfamoylamino)acetate
SMILESCOC(=O)CNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)8-12-17(14,15)11-7-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3
InChIKeyHTDJZCSYRPVDNM-UHFFFAOYSA-N
XLogP-0.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylsulfamoylamino)acetate?
The IUPAC name of methyl 2-(benzylsulfamoylamino)acetate (CID 44590260) is methyl 2-(benzylsulfamoylamino)acetate.
What is the SMILES notation for methyl 2-(benzylsulfamoylamino)acetate?
The canonical SMILES for methyl 2-(benzylsulfamoylamino)acetate is COC(=O)CNS(=O)(=O)NCc1ccccc1.
What is the InChIKey of methyl 2-(benzylsulfamoylamino)acetate?
The InChIKey is HTDJZCSYRPVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10(13)8-12-17(14,15)11-7-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3.
What are the key properties of methyl 2-(benzylsulfamoylamino)acetate?
methyl 2-(benzylsulfamoylamino)acetate has a molecular weight of 258.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylsulfamoylamino)acetate is sourced from PubChem (CID 44590260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).