3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

C22H23N3O3S — CID 47092083

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)17-7-9-20(10-8-17)29(27,28)25-19-6-4-5-16(15-19)21(26)24-18-11-13-23-14-12-18/h4-15,25H,1-3H3,(H,23,24,26)
InChIKeyNPAWWOBFEFTRFC-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.43
Rot. Bonds5

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (PubChem CID 47092083) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
PubChem CID47092083
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)17-7-9-20(10-8-17)29(27,28)25-19-6-4-5-16(15-19)21(26)24-18-11-13-23-14-12-18/h4-15,25H,1-3H3,(H,23,24,26)
InChIKeyNPAWWOBFEFTRFC-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711
3-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide (CID 47092083) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccncc3)c2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
The InChIKey is NPAWWOBFEFTRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-22(2,3)17-7-9-20(10-8-17)29(27,28)25-19-6-4-5-16(15-19)21(26)24-18-11-13-23-14-12-18/h4-15,25H,1-3H3,(H,23,24,26).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 47092083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).