N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

C13H13F3N4O3S — CID 71790174

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H13F3N4O3S/c1-20(2)12-17-7-9(8-18-12)19-24(21,22)11-5-3-10(4-6-11)23-13(14,15)16/h3-8,19H,1-2H3
InChIKeyBAZUSCQEAYVPPI-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71790174) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71790174
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)c1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H13F3N4O3S/c1-20(2)12-17-7-9(8-18-12)19-24(21,22)11-5-3-10(4-6-11)23-13(14,15)16/h3-8,19H,1-2H3
InChIKeyBAZUSCQEAYVPPI-UHFFFAOYSA-N
XLogP2.24
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 71790174) is N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is CN(C)c1ncc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BAZUSCQEAYVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-20(2)12-17-7-9(8-18-12)19-24(21,22)11-5-3-10(4-6-11)23-13(14,15)16/h3-8,19H,1-2H3.
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71790174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).