methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate

C15H16N2O4S — CID 678082

IUPACmethyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O4S/c1-11-3-5-13(6-4-11)17-22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyKLQNBASWMYRALN-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.97
Rot. Bonds4

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

methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate (PubChem CID 678082) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate
PubChem CID678082
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Namemethyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C15H16N2O4S/c1-11-3-5-13(6-4-11)17-22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h3-10,17H,1-2H3,(H,16,18)
InChIKeyKLQNBASWMYRALN-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate (CID 678082) is methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is KLQNBASWMYRALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-3-5-13(6-4-11)17-22(19,20)14-9-7-12(8-10-14)16-15(18)21-2/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 320.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-methylphenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 678082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).