N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H19F3N4O2S — CID 71807329

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O2S/c1-11-15(12(2)22-16(21-11)24-8-3-4-9-24)23-27(25,26)14-7-5-6-13(10-14)17(18,19)20/h5-7,10,23H,3-4,8-9H2,1-2H3
InChIKeyZXANHSYKKDIUMQ-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.51
Rot. Bonds4

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 71807329) has the molecular formula C17H19F3N4O2S and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID71807329
Molecular FormulaC17H19F3N4O2S
Molecular Weight400.43 g/mol
Exact Mass400.12
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O2S/c1-11-15(12(2)22-16(21-11)24-8-3-4-9-24)23-27(25,26)14-7-5-6-13(10-14)17(18,19)20/h5-7,10,23H,3-4,8-9H2,1-2H3
InChIKeyZXANHSYKKDIUMQ-UHFFFAOYSA-N
XLogP3.51
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)naphthalene-2-sulfonamide
CID 122356520
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 91967327
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122356712
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121032489
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122253774
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 7202474
2-[3,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pyrazol-1-yl]acetic acid
CID 50959406
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-[6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-cyano-2,4-dimethyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 86763669
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122357114

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 71807329) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1nc(N2CCCC2)nc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZXANHSYKKDIUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2S/c1-11-15(12(2)22-16(21-11)24-8-3-4-9-24)23-27(25,26)14-7-5-6-13(10-14)17(18,19)20/h5-7,10,23H,3-4,8-9H2,1-2H3.
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 400.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71807329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).