N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C22H23N3O3S — CID 164776585

IUPACN-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)17-8-4-10-19(13-17)25-29(27,28)20-11-5-9-18(14-20)24-21(26)16-7-6-12-23-15-16/h4-15,25H,1-3H3,(H,24,26)
InChIKeyYEVIETAVIUECOM-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.43
Rot. Bonds5

About N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 164776585) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID164776585
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C22H23N3O3S/c1-22(2,3)17-8-4-10-19(13-17)25-29(27,28)20-11-5-9-18(14-20)24-21(26)16-7-6-12-23-15-16/h4-15,25H,1-3H3,(H,24,26)
InChIKeyYEVIETAVIUECOM-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

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Related Compounds

N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 30881386
3-[(4-tert-butylphenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 47092083
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295
N-[3-(pyridin-3-ylsulfonylamino)phenyl]acetamide
CID 110865862
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 164776585) is N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is CC(C)(C)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3cccnc3)c2)c1.
What is the InChIKey of N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is YEVIETAVIUECOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-22(2,3)17-8-4-10-19(13-17)25-29(27,28)20-11-5-9-18(14-20)24-21(26)16-7-6-12-23-15-16/h4-15,25H,1-3H3,(H,24,26).
What are the key properties of N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide 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 N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164776585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).