methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate

C15H16N2O5S — CID 678083

IUPACmethyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-14-6-4-3-5-13(14)17-23(19,20)12-9-7-11(8-10-12)16-15(18)22-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyWFMVFVDPCRTOJS-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.67
Rot. Bonds5

About methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate

methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate (PubChem CID 678083) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
PubChem CID678083
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C15H16N2O5S/c1-21-14-6-4-3-5-13(14)17-23(19,20)12-9-7-11(8-10-12)16-15(18)22-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyWFMVFVDPCRTOJS-UHFFFAOYSA-N
XLogP2.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate (CID 678083) is methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is WFMVFVDPCRTOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-14-6-4-3-5-13(14)17-23(19,20)12-9-7-11(8-10-12)16-15(18)22-2/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 336.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 678083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).