N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide

C24H17F6N3O3S — CID 11635248

IUPACN-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccccc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F6N3O3S/c25-23(26,27)19-9-5-4-8-18(19)22(34)32-37(35,36)17-12-10-16(11-13-17)33-20(15-6-2-1-3-7-15)14-21(31-33)24(28,29)30/h1-13,20H,14H2,(H,32,34)
InChIKeyHALPJIKQIWCYPC-UHFFFAOYSA-N
MW541.47 g/mol
LogP5.69
Rot. Bonds5

About N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide

N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide (PubChem CID 11635248) has the molecular formula C24H17F6N3O3S and a molecular weight of 541.47 g/mol. Its IUPAC name is N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide
PubChem CID11635248
Molecular FormulaC24H17F6N3O3S
Molecular Weight541.47 g/mol
Exact Mass541.09
IUPAC NameN-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccccc2)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H17F6N3O3S/c25-23(26,27)19-9-5-4-8-18(19)22(34)32-37(35,36)17-12-10-16(11-13-17)33-20(15-6-2-1-3-7-15)14-21(31-33)24(28,29)30/h1-13,20H,14H2,(H,32,34)
InChIKeyHALPJIKQIWCYPC-UHFFFAOYSA-N
XLogP5.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.47
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide (CID 11635248) is N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide is O=C(NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccccc2)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide?
The InChIKey is HALPJIKQIWCYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F6N3O3S/c25-23(26,27)19-9-5-4-8-18(19)22(34)32-37(35,36)17-12-10-16(11-13-17)33-20(15-6-2-1-3-7-15)14-21(31-33)24(28,29)30/h1-13,20H,14H2,(H,32,34).
What are the key properties of N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide?
N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide has a molecular weight of 541.47 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 11635248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).