N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide

C17H15F3N4O4S2 — CID 2808821

IUPACN-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N4O4S2/c1-24-16(10-11-21-24)23-30(27,28)15-8-4-13(5-9-15)22-29(25,26)14-6-2-12(3-7-14)17(18,19)20/h2-11,22-23H,1H3
InChIKeyZTMHLTOGLOEGAU-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2808821) has the molecular formula C17H15F3N4O4S2 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2808821
Molecular FormulaC17H15F3N4O4S2
Molecular Weight460.46 g/mol
Exact Mass460.05
IUPAC NameN-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N4O4S2/c1-24-16(10-11-21-24)23-30(27,28)15-8-4-13(5-9-15)22-29(25,26)14-6-2-12(3-7-14)17(18,19)20/h2-11,22-23H,1H3
InChIKeyZTMHLTOGLOEGAU-UHFFFAOYSA-N
XLogP3.04
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 2808821) is N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZTMHLTOGLOEGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4S2/c1-24-16(10-11-21-24)23-30(27,28)15-8-4-13(5-9-15)22-29(25,26)14-6-2-12(3-7-14)17(18,19)20/h2-11,22-23H,1H3.
What are the key properties of N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2808821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).