N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

C18H14N4O5S — CID 1164335

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O5S/c23-17(12-2-7-15-16(10-12)27-11-26-15)21-13-3-5-14(6-4-13)28(24,25)22-18-19-8-1-9-20-18/h1-10H,11H2,(H,21,23)(H,19,20,22)
InChIKeyDUMOBFUGZYFQBR-UHFFFAOYSA-N
MW398.40 g/mol
LogP2.26
Rot. Bonds5

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 1164335) has the molecular formula C18H14N4O5S and a molecular weight of 398.40 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID1164335
Molecular FormulaC18H14N4O5S
Molecular Weight398.40 g/mol
Exact Mass398.07
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O5S/c23-17(12-2-7-15-16(10-12)27-11-26-15)21-13-3-5-14(6-4-13)28(24,25)22-18-19-8-1-9-20-18/h1-10H,11H2,(H,21,23)(H,19,20,22)
InChIKeyDUMOBFUGZYFQBR-UHFFFAOYSA-N
XLogP2.26
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
N-[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6155235
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
N-[4-(butylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 2186552
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
4-benzyl-3-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-benzoxazine-7-carboxamide
CID 139779674
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-3-carboxamide
CID 674488
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
6-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 2121261

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 1164335) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DUMOBFUGZYFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5S/c23-17(12-2-7-15-16(10-12)27-11-26-15)21-13-3-5-14(6-4-13)28(24,25)22-18-19-8-1-9-20-18/h1-10H,11H2,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 398.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1164335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).