methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate

C10H12N2O6S — CID 15679

IUPACmethyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC(=O)OC)cc1
InChIInChI=1S/C10H12N2O6S/c1-17-9(13)11-7-3-5-8(6-4-7)19(15,16)12-10(14)18-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyZTFLDKYLDUZSMN-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.91
Rot. Bonds3

About methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate

methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate (PubChem CID 15679) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate
PubChem CID15679
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Namemethyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)NC(=O)OC)cc1
InChIInChI=1S/C10H12N2O6S/c1-17-9(13)11-7-3-5-8(6-4-7)19(15,16)12-10(14)18-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyZTFLDKYLDUZSMN-UHFFFAOYSA-N
XLogP0.91
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate?
The IUPAC name of methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate (CID 15679) is methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate?
The canonical SMILES for methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate is COC(=O)Nc1ccc(S(=O)(=O)NC(=O)OC)cc1.
What is the InChIKey of methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate?
The InChIKey is ZTFLDKYLDUZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-17-9(13)11-7-3-5-8(6-4-7)19(15,16)12-10(14)18-2/h3-6H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate?
methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate has a molecular weight of 288.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(methoxycarbonylamino)phenyl]sulfonylcarbamate is sourced from PubChem (CID 15679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).