N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C22H19N5O5S3 — CID 43908824

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)n1
InChIInChI=1S/C22H19N5O5S3/c1-15-12-13-23-22(24-15)27-34(29,30)19-10-8-17(9-11-19)25-21(28)16-4-6-18(7-5-16)26-35(31,32)20-3-2-14-33-20/h2-14,26H,1H3,(H,25,28)(H,23,24,27)
InChIKeyXQQIFFKXXRMGLV-UHFFFAOYSA-N
MW529.63 g/mol
LogP3.70
Rot. Bonds8

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 43908824) has the molecular formula C22H19N5O5S3 and a molecular weight of 529.63 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID43908824
Molecular FormulaC22H19N5O5S3
Molecular Weight529.63 g/mol
Exact Mass529.05
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)n1
InChIInChI=1S/C22H19N5O5S3/c1-15-12-13-23-22(24-15)27-34(29,30)19-10-8-17(9-11-19)25-21(28)16-4-6-18(7-5-16)26-35(31,32)20-3-2-14-33-20/h2-14,26H,1H3,(H,25,28)(H,23,24,27)
InChIKeyXQQIFFKXXRMGLV-UHFFFAOYSA-N
XLogP3.70
TPSA147.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.63
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 30396309
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147322
4-(dibutylsulfamoyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18560761
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147353
3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079900
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 16801174

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 43908824) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is XQQIFFKXXRMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S3/c1-15-12-13-23-22(24-15)27-34(29,30)19-10-8-17(9-11-19)25-21(28)16-4-6-18(7-5-16)26-35(31,32)20-3-2-14-33-20/h2-14,26H,1H3,(H,25,28)(H,23,24,27).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 529.63 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 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-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 43908824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).