methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate

C12H12N4O4S — CID 752806

IUPACmethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C12H12N4O4S/c1-20-12(17)15-9-3-5-10(6-4-9)21(18,19)16-11-13-7-2-8-14-11/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKeyUBWGKESGQORLBW-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.46
Rot. Bonds4

About methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate

methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate (PubChem CID 752806) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
PubChem CID752806
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Namemethyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C12H12N4O4S/c1-20-12(17)15-9-3-5-10(6-4-9)21(18,19)16-11-13-7-2-8-14-11/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKeyUBWGKESGQORLBW-UHFFFAOYSA-N
XLogP1.46
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate (CID 752806) is methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate?
The InChIKey is UBWGKESGQORLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-20-12(17)15-9-3-5-10(6-4-9)21(18,19)16-11-13-7-2-8-14-11/h2-8H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate?
methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate has a molecular weight of 308.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamate is sourced from PubChem (CID 752806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).