N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H16N4O5S — CID 2788595

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N4O5S/c24-18(17-12-27-15-4-1-2-5-16(15)28-17)22-13-6-8-14(9-7-13)29(25,26)23-19-20-10-3-11-21-19/h1-11,17H,12H2,(H,22,24)(H,20,21,23)
InChIKeyOYKFOAVAWYJLKC-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.06
Rot. Bonds5

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

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788595) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788595
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N4O5S/c24-18(17-12-27-15-4-1-2-5-16(15)28-17)22-13-6-8-14(9-7-13)29(25,26)23-19-20-10-3-11-21-19/h1-11,17H,12H2,(H,22,24)(H,20,21,23)
InChIKeyOYKFOAVAWYJLKC-UHFFFAOYSA-N
XLogP2.06
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenoxyacetamide
CID 1116398
2-phenoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1103426
2-(4-tert-butylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 1183047
N-{[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}-2-(2-methoxyphenoxy)acetamide
CID 2947400
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)propanamide
CID 2965125
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenyl-3-pyridinesulfonamide
CID 2998477
2-Phenoxy-N-[4-(pyridin-2-ylsulfamoyl)-phenyl]-acetamide
CID 3151769
2-(3-chlorophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 4205576
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-2-(2-methoxyphenoxy)acetamide
CID 660126
2-(2,4-dibromophenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 1183038
N-{4-[(Pyrimidin-2-YL)sulfamoyl]phenyl}-2-[4-(2,4,4-trimethylpentan-2-YL)phenoxy]acetamide
CID 1183048
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-fluorophenoxy)propanamide
CID 2934575

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788595) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is OYKFOAVAWYJLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-18(17-12-27-15-4-1-2-5-16(15)28-17)22-13-6-8-14(9-7-13)29(25,26)23-19-20-10-3-11-21-19/h1-11,17H,12H2,(H,22,24)(H,20,21,23).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 2.06, 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]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).