N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide

C22H23N5O6S2 — CID 2147302

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C22H23N5O6S2/c1-16-10-11-23-22(24-16)26-34(29,30)19-8-4-18(5-9-19)25-21(28)17-2-6-20(7-3-17)35(31,32)27-12-14-33-15-13-27/h2-11H,12-15H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyYRTFWNHPCYLUTP-UHFFFAOYSA-N
MW517.59 g/mol
LogP1.86
Rot. Bonds7

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2147302) has the molecular formula C22H23N5O6S2 and a molecular weight of 517.59 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2147302
Molecular FormulaC22H23N5O6S2
Molecular Weight517.59 g/mol
Exact Mass517.11
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1
InChIInChI=1S/C22H23N5O6S2/c1-16-10-11-23-22(24-16)26-34(29,30)19-8-4-18(5-9-19)25-21(28)17-2-6-20(7-3-17)35(31,32)27-12-14-33-15-13-27/h2-11H,12-15H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyYRTFWNHPCYLUTP-UHFFFAOYSA-N
XLogP1.86
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide (CID 2147302) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YRTFWNHPCYLUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O6S2/c1-16-10-11-23-22(24-16)26-34(29,30)19-8-4-18(5-9-19)25-21(28)17-2-6-20(7-3-17)35(31,32)27-12-14-33-15-13-27/h2-11H,12-15H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 517.59 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).