N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

C16H17F3N6O3S — CID 122187643

IUPACN-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
InChIKeyIJJGNQUJORCACD-UHFFFAOYSA-N
MW430.41 g/mol
LogP1.50
Rot. Bonds3

About N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (PubChem CID 122187643) has the molecular formula C16H17F3N6O3S and a molecular weight of 430.41 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
PubChem CID122187643
Molecular FormulaC16H17F3N6O3S
Molecular Weight430.41 g/mol
Exact Mass430.10
IUPAC NameN-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28)
InChIKeyIJJGNQUJORCACD-UHFFFAOYSA-N
XLogP1.50
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (CID 122187643) is N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The InChIKey is IJJGNQUJORCACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28).
What are the key properties of N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122187643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).