5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C22H16F3N5O2S — CID 138559643

IUPAC5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C22H16F3N5O2S/c23-22(24,25)17-12-28-30(14-17)21-19(33(26,31)32)11-18(13-27-21)29-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,26,31,32)
InChIKeyNWZMRLKTQBHTDU-UHFFFAOYSA-N
MW471.46 g/mol
LogP4.10
Rot. Bonds5

About 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 138559643) has the molecular formula C22H16F3N5O2S and a molecular weight of 471.46 g/mol. Its IUPAC name is 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID138559643
Molecular FormulaC22H16F3N5O2S
Molecular Weight471.46 g/mol
Exact Mass471.10
IUPAC Name5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C22H16F3N5O2S/c23-22(24,25)17-12-28-30(14-17)21-19(33(26,31)32)11-18(13-27-21)29-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,26,31,32)
InChIKeyNWZMRLKTQBHTDU-UHFFFAOYSA-N
XLogP4.10
TPSA103.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964811
N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide
CID 175263598
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751841
2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
CID 121256190
N-[6-(methylsulfonylmethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 86676179
3-ethylsulfonyl-2-(4-iodopyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 121485081
1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]triazol-4-yl]ethanone
CID 156563946
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 138559643) is 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1cc(N=C(c2ccccc2)c2ccccc2)cnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is NWZMRLKTQBHTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S/c23-22(24,25)17-12-28-30(14-17)21-19(33(26,31)32)11-18(13-27-21)29-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H,(H2,26,31,32).
What are the key properties of 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 471.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 138559643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).