N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide

C24H25F3N4O4S2 — CID 24957920

IUPACN-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nc(C(F)(F)F)nc2N2CCCCC2)c1
InChIInChI=1S/C24H25F3N4O4S2/c1-28-37(34,35)19-8-6-7-17(15-19)20-21(16-9-11-18(12-10-16)36(2,32)33)29-23(24(25,26)27)30-22(20)31-13-4-3-5-14-31/h6-12,15,28H,3-5,13-14H2,1-2H3
InChIKeyKZHYWZHHLZBKLQ-UHFFFAOYSA-N
MW554.62 g/mol
LogP4.13
Rot. Bonds6

About N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide

N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide (PubChem CID 24957920) has the molecular formula C24H25F3N4O4S2 and a molecular weight of 554.62 g/mol. Its IUPAC name is N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
PubChem CID24957920
Molecular FormulaC24H25F3N4O4S2
Molecular Weight554.62 g/mol
Exact Mass554.13
IUPAC NameN-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nc(C(F)(F)F)nc2N2CCCCC2)c1
InChIInChI=1S/C24H25F3N4O4S2/c1-28-37(34,35)19-8-6-7-17(15-19)20-21(16-9-11-18(12-10-16)36(2,32)33)29-23(24(25,26)27)30-22(20)31-13-4-3-5-14-31/h6-12,15,28H,3-5,13-14H2,1-2H3
InChIKeyKZHYWZHHLZBKLQ-UHFFFAOYSA-N
XLogP4.13
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.62
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide (CID 24957920) is N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nc(C(F)(F)F)nc2N2CCCCC2)c1.
What is the InChIKey of N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide?
The InChIKey is KZHYWZHHLZBKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4S2/c1-28-37(34,35)19-8-6-7-17(15-19)20-21(16-9-11-18(12-10-16)36(2,32)33)29-23(24(25,26)27)30-22(20)31-13-4-3-5-14-31/h6-12,15,28H,3-5,13-14H2,1-2H3.
What are the key properties of N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide?
N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide has a molecular weight of 554.62 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(4-methylsulfonylphenyl)-6-piperidin-1-yl-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonamide is sourced from PubChem (CID 24957920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).