N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide

C20H17F3N4O5S — CID 2147460

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(OC)n1
InChIInChI=1S/C20H17F3N4O5S/c1-31-17-11-16(25-19(26-17)32-2)27-33(29,30)15-8-6-14(7-9-15)24-18(28)12-4-3-5-13(10-12)20(21,22)23/h3-11H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyOCSPLFBDYYGMLM-UHFFFAOYSA-N
MW482.44 g/mol
LogP3.57
Rot. Bonds7

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 2147460) has the molecular formula C20H17F3N4O5S and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID2147460
Molecular FormulaC20H17F3N4O5S
Molecular Weight482.44 g/mol
Exact Mass482.09
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(OC)n1
InChIInChI=1S/C20H17F3N4O5S/c1-31-17-11-16(25-19(26-17)32-2)27-33(29,30)15-8-6-14(7-9-15)24-18(28)12-4-3-5-13(10-12)20(21,22)23/h3-11H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyOCSPLFBDYYGMLM-UHFFFAOYSA-N
XLogP3.57
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2,3,4,5,6-pentafluorobenzamide
CID 1744440
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-methylbenzamide
CID 998055
N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-4-methoxybenzamide
CID 1936794
4-bromo-N-({4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1961113
N-(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)acetamide
CID 1009728
N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2-methoxybenzamide
CID 1323464
Cambridge id 6931956
CID 1324776
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 1562044
(E)-3-(4-fluorophenyl)-N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 1830592
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}hexanamide
CID 2252316
N-[4-({4-[(2,6-Dimethoxypyrimidin-4-YL)sulfamoyl]phenyl}sulfamoyl)phenyl]acetamide
CID 3110772
4-Fluoro-N-{4-[(6-methoxypyrimidin-4-YL)sulfamoyl]phenyl}benzamide
CID 4417994

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide (CID 2147460) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OCSPLFBDYYGMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O5S/c1-31-17-11-16(25-19(26-17)32-2)27-33(29,30)15-8-6-14(7-9-15)24-18(28)12-4-3-5-13(10-12)20(21,22)23/h3-11H,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 482.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2147460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).