N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide

C15H15F3N4O3S — CID 71790192

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-3-5-13(6-4-12)26(23,24)21-11-9-19-14(20-10-11)22-7-1-2-8-22/h3-6,9-10,21H,1-2,7-8H2
InChIKeyCXLPGVORUZGKMJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.78
Rot. Bonds5

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71790192) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71790192
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-3-5-13(6-4-12)26(23,24)21-11-9-19-14(20-10-11)22-7-1-2-8-22/h3-6,9-10,21H,1-2,7-8H2
InChIKeyCXLPGVORUZGKMJ-UHFFFAOYSA-N
XLogP2.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71790192) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CXLPGVORUZGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c16-15(17,18)25-12-3-5-13(6-4-12)26(23,24)21-11-9-19-14(20-10-11)22-7-1-2-8-22/h3-6,9-10,21H,1-2,7-8H2.
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 388.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71790192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).