methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate

C14H16N4O6S — CID 983343

IUPACmethyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C14H16N4O6S/c1-22-12-8-11(16-13(17-12)23-2)18-25(20,21)10-6-4-9(5-7-10)15-14(19)24-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyWPLIQPBJRRXRKP-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.47
Rot. Bonds6

About methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate

methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate (PubChem CID 983343) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate
PubChem CID983343
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Namemethyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1
InChIInChI=1S/C14H16N4O6S/c1-22-12-8-11(16-13(17-12)23-2)18-25(20,21)10-6-4-9(5-7-10)15-14(19)24-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyWPLIQPBJRRXRKP-UHFFFAOYSA-N
XLogP1.47
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate (CID 983343) is methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1.
What is the InChIKey of methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
The InChIKey is WPLIQPBJRRXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-22-12-8-11(16-13(17-12)23-2)18-25(20,21)10-6-4-9(5-7-10)15-14(19)24-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate?
methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate has a molecular weight of 368.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 983343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).