N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide

C19H16F3N3O5S2 — CID 11190977

IUPACN-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N(c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)S(C)(=O)=O
InChIInChI=1S/C19H16F3N3O5S2/c1-31(26,27)25(32(2,28)29)18-23-11-10-16(24-18)14-7-5-6-13(12-14)15-8-3-4-9-17(15)30-19(20,21)22/h3-12H,1-2H3
InChIKeyOFNIKZRGDNPLQZ-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.43
Rot. Bonds6

About N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide

N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide (PubChem CID 11190977) has the molecular formula C19H16F3N3O5S2 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
PubChem CID11190977
Molecular FormulaC19H16F3N3O5S2
Molecular Weight487.48 g/mol
Exact Mass487.05
IUPAC NameN-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N(c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)S(C)(=O)=O
InChIInChI=1S/C19H16F3N3O5S2/c1-31(26,27)25(32(2,28)29)18-23-11-10-16(24-18)14-7-5-6-13(12-14)15-8-3-4-9-17(15)30-19(20,21)22/h3-12H,1-2H3
InChIKeyOFNIKZRGDNPLQZ-UHFFFAOYSA-N
XLogP3.43
TPSA106.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
1-propan-2-yl-3-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]urea
CID 11316139

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide (CID 11190977) is N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide is CS(=O)(=O)N(c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1)S(C)(=O)=O.
What is the InChIKey of N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide?
The InChIKey is OFNIKZRGDNPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5S2/c1-31(26,27)25(32(2,28)29)18-23-11-10-16(24-18)14-7-5-6-13(12-14)15-8-3-4-9-17(15)30-19(20,21)22/h3-12H,1-2H3.
What are the key properties of N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide?
N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide has a molecular weight of 487.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidin-2-yl]methanesulfonamide is sourced from PubChem (CID 11190977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).