4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C21H24N6O5S2 — CID 30396309

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1
InChIInChI=1S/C21H24N6O5S2/c1-15-13-14-22-21(23-15)25-33(29,30)19-11-7-17(8-12-19)24-20(28)16-5-9-18(10-6-16)27(4)34(31,32)26(2)3/h5-14H,1-4H3,(H,24,28)(H,22,23,25)
InChIKeyZDXACKADLSWIAI-UHFFFAOYSA-N
MW504.59 g/mol
LogP2.08
Rot. Bonds8

About 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 30396309) has the molecular formula C21H24N6O5S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID30396309
Molecular FormulaC21H24N6O5S2
Molecular Weight504.59 g/mol
Exact Mass504.12
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1
InChIInChI=1S/C21H24N6O5S2/c1-15-13-14-22-21(23-15)25-33(29,30)19-11-7-17(8-12-19)24-20(28)16-5-9-18(10-6-16)27(4)34(31,32)26(2)3/h5-14H,1-4H3,(H,24,28)(H,22,23,25)
InChIKeyZDXACKADLSWIAI-UHFFFAOYSA-N
XLogP2.08
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
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
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(pentanoylamino)benzamide;hydrochloride
CID 163328969
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43915430
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 43908824
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 18891060

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 30396309) is 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)n1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is ZDXACKADLSWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5S2/c1-15-13-14-22-21(23-15)25-33(29,30)19-11-7-17(8-12-19)24-20(28)16-5-9-18(10-6-16)27(4)34(31,32)26(2)3/h5-14H,1-4H3,(H,24,28)(H,22,23,25).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 504.59 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 30396309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).