N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide

C28H26FN3O3S — CID 58639464

IUPACN-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H26FN3O3S/c1-28(2,3)21-10-14-23(15-11-21)31-27(33)20-8-6-19(7-9-20)26-25(5-4-18-30-26)32-36(34,35)24-16-12-22(29)13-17-24/h4-18,32H,1-3H3,(H,31,33)
InChIKeyYICAEOFWEXUXKW-UHFFFAOYSA-N
MW503.60 g/mol
LogP6.24
Rot. Bonds6

About N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide

N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide (PubChem CID 58639464) has the molecular formula C28H26FN3O3S and a molecular weight of 503.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide
PubChem CID58639464
Molecular FormulaC28H26FN3O3S
Molecular Weight503.60 g/mol
Exact Mass503.17
IUPAC NameN-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C28H26FN3O3S/c1-28(2,3)21-10-14-23(15-11-21)31-27(33)20-8-6-19(7-9-20)26-25(5-4-18-30-26)32-36(34,35)24-16-12-22(29)13-17-24/h4-18,32H,1-3H3,(H,31,33)
InChIKeyYICAEOFWEXUXKW-UHFFFAOYSA-N
XLogP6.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-(3-methylsulfonyl-2-pyridinyl)-N-(4-sulfamoylphenyl)benzamide
CID 59672870
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
4-[3-[bis(methylsulfonyl)amino]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 58639617

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide (CID 58639464) is N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3NS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide?
The InChIKey is YICAEOFWEXUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3S/c1-28(2,3)21-10-14-23(15-11-21)31-27(33)20-8-6-19(7-9-20)26-25(5-4-18-30-26)32-36(34,35)24-16-12-22(29)13-17-24/h4-18,32H,1-3H3,(H,31,33).
What are the key properties of N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide?
N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide has a molecular weight of 503.60 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[3-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 58639464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).