N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide

C16H19N3O3S — CID 39736173

IUPACN-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)19-23(21,22)14-8-4-7-13(10-14)18-15(20)12-6-5-9-17-11-12/h4-11,19H,1-3H3,(H,18,20)
InChIKeyINNUXIYUGQVYOI-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.41
Rot. Bonds4

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

N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 39736173) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID39736173
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H19N3O3S/c1-16(2,3)19-23(21,22)14-8-4-7-13(10-14)18-15(20)12-6-5-9-17-11-12/h4-11,19H,1-3H3,(H,18,20)
InChIKeyINNUXIYUGQVYOI-UHFFFAOYSA-N
XLogP2.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-tert-butylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 164776585
4-bromo-N-[3-(tert-butylsulfamoyl)phenyl]benzamide
CID 25445720
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 29373777
3-(tert-butylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 8762521
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 9107968
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 30881386
N-[3-(4-tert-butylbenzoyl)phenyl]pyridine-3-carboxamide
CID 100629013
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
3-(tert-butylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 9096794
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 39736173) is N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is INNUXIYUGQVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-16(2,3)19-23(21,22)14-8-4-7-13(10-14)18-15(20)12-6-5-9-17-11-12/h4-11,19H,1-3H3,(H,18,20).
What are the key properties of N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide?
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).