N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H18N4O5S — CID 1191580

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C20H18N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)16-5-3-15(4-6-16)23-19(25)14-2-7-17-18(12-14)29-11-10-28-17/h2-9,12H,10-11H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyPMSYEFZREXPYKW-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 1191580) has the molecular formula C20H18N4O5S and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID1191580
Molecular FormulaC20H18N4O5S
Molecular Weight426.45 g/mol
Exact Mass426.10
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1
InChIInChI=1S/C20H18N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)16-5-3-15(4-6-16)23-19(25)14-2-7-17-18(12-14)29-11-10-28-17/h2-9,12H,10-11H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyPMSYEFZREXPYKW-UHFFFAOYSA-N
XLogP2.61
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1001748
3,4-dimethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1048934
3,4-diethoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150965
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
2-[(4-aminoquinazolin-7-yl)amino]-N-(benzenesulfonyl)-2-(3-ethoxy-4-propan-2-yloxyphenyl)acetamide
CID 10256629
4-[[7-(3-methoxyphenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
CID 162477935
3,5-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1072404
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
2,4,5-trimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1246444
3,4,5-trimethoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 1359070
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 2305695

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 1191580) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is PMSYEFZREXPYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5S/c1-13-8-9-21-20(22-13)24-30(26,27)16-5-3-15(4-6-16)23-19(25)14-2-7-17-18(12-14)29-11-10-28-17/h2-9,12H,10-11H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 426.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 1191580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).