N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C17H18F3N5O3S — CID 27868953

IUPACN-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
InChIKeyNESPBDIIPPWXAO-UHFFFAOYSA-N
MW429.42 g/mol
LogP2.10
Rot. Bonds3

About N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 27868953) has the molecular formula C17H18F3N5O3S and a molecular weight of 429.42 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID27868953
Molecular FormulaC17H18F3N5O3S
Molecular Weight429.42 g/mol
Exact Mass429.11
IUPAC NameN-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28)
InChIKeyNESPBDIIPPWXAO-UHFFFAOYSA-N
XLogP2.10
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
Urea deriv. 20
CID 5329826
1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
4-((4-(((1R,2R)-2-(dimethylamino)cyclopentyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-methylbenzenesulfonamide
CID 25920890
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
A-784168
CID 11420211
Arylsulfonylpiperazine, 10
CID 23648664
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
Arylsulfonylpiperazine, 16
CID 44237021

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 27868953) is N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is NESPBDIIPPWXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3S/c18-17(19,20)12-1-6-15(22-11-12)24-7-9-25(10-8-24)16(26)23-13-2-4-14(5-3-13)29(21,27)28/h1-6,11H,7-10H2,(H,23,26)(H2,21,27,28).
What are the key properties of N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 27868953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).