4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide

C15H16F3N5O2S — CID 171996749

IUPAC4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C15H16F3N5O2S/c16-15(17,18)13-5-6-20-14(21-13)23-9-7-22(8-10-23)11-1-3-12(4-2-11)26(19,24)25/h1-6H,7-10H2,(H2,19,24,25)
InChIKeyQNANYLLLVYSMBC-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.47
Rot. Bonds3

About 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide

4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide (PubChem CID 171996749) has the molecular formula C15H16F3N5O2S and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
PubChem CID171996749
Molecular FormulaC15H16F3N5O2S
Molecular Weight387.39 g/mol
Exact Mass387.10
IUPAC Name4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C15H16F3N5O2S/c16-15(17,18)13-5-6-20-14(21-13)23-9-7-22(8-10-23)11-1-3-12(4-2-11)26(19,24)25/h1-6H,7-10H2,(H2,19,24,25)
InChIKeyQNANYLLLVYSMBC-UHFFFAOYSA-N
XLogP1.47
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfadiazine
CID 5215
Sulfamerazine
CID 5325
Silver Sulfadiazine
CID 441244
Sulfaperin
CID 68933
Acetylsulfadiazine
CID 64952
N4-Acetylsulfamerazine
CID 67181
Sulfadiazine Sodium
CID 15899898
Sulfamerazine Sodium
CID 15899899
Gsk837149A
CID 57519517
CID 118883427
CID 118883427
4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide (CID 171996749) is 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is QNANYLLLVYSMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2S/c16-15(17,18)13-5-6-20-14(21-13)23-9-7-22(8-10-23)11-1-3-12(4-2-11)26(19,24)25/h1-6H,7-10H2,(H2,19,24,25).
What are the key properties of 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide?
4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 387.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 171996749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).