N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide

C11H8Cl2N4O3S — CID 102922062

IUPACN-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)c2cncnc2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O3S/c12-8-1-7(21(14,19)20)2-9(13)10(8)17-11(18)6-3-15-5-16-4-6/h1-5H,(H,17,18)(H2,14,19,20)
InChIKeyDKLIMURMNYYBBV-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.68
Rot. Bonds3

About N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide

N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide (PubChem CID 102922062) has the molecular formula C11H8Cl2N4O3S and a molecular weight of 347.18 g/mol. Its IUPAC name is N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
PubChem CID102922062
Molecular FormulaC11H8Cl2N4O3S
Molecular Weight347.18 g/mol
Exact Mass345.97
IUPAC NameN-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)c2cncnc2)c(Cl)c1
InChIInChI=1S/C11H8Cl2N4O3S/c12-8-1-7(21(14,19)20)2-9(13)10(8)17-11(18)6-3-15-5-16-4-6/h1-5H,(H,17,18)(H2,14,19,20)
InChIKeyDKLIMURMNYYBBV-UHFFFAOYSA-N
XLogP1.68
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide (CID 102922062) is N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide is NS(=O)(=O)c1cc(Cl)c(NC(=O)c2cncnc2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DKLIMURMNYYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O3S/c12-8-1-7(21(14,19)20)2-9(13)10(8)17-11(18)6-3-15-5-16-4-6/h1-5H,(H,17,18)(H2,14,19,20).
What are the key properties of N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide?
N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide has a molecular weight of 347.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).