2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid

C16H18N2O4S — CID 53224701

IUPAC2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C16H18N2O4S/c1-16(2,3)18-23(21,22)12-7-4-6-11(10-12)14-13(15(19)20)8-5-9-17-14/h4-10,18H,1-3H3,(H,19,20)
InChIKeyVDNKBTUETZTWRY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid

2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224701) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53224701
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1cccc(-c2ncccc2C(=O)O)c1
InChIInChI=1S/C16H18N2O4S/c1-16(2,3)18-23(21,22)12-7-4-6-11(10-12)14-13(15(19)20)8-5-9-17-14/h4-10,18H,1-3H3,(H,19,20)
InChIKeyVDNKBTUETZTWRY-UHFFFAOYSA-N
XLogP2.52
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(tert-butylsulfamoyl)phenyl]-2-chlorobenzoic acid
CID 53229010
2-[3-(tert-butylsulfamoyl)phenyl]-4-chlorobenzoic acid
CID 53229013
2-(tert-butylsulfamoyl)pyridine-3-carboxylic acid
CID 70384497
4-[3-(tert-butylsulfamoyl)phenyl]-3-methylbenzoic acid
CID 53228990
4-[3-(tert-butylsulfamoyl)phenyl]-2-nitrobenzoic acid
CID 53229016
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
3-(3-bromo-5-hydroxyphenyl)-N-tert-butylbenzenesulfonamide
CID 53221898
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
N-tert-butyl-3-(3-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 53221142
N-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 39736173
3-(tert-butylsulfamoyl)-2-methylindazole-4-carboxylic acid
CID 67623824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid (CID 53224701) is 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid is CC(C)(C)NS(=O)(=O)c1cccc(-c2ncccc2C(=O)O)c1.
What is the InChIKey of 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is VDNKBTUETZTWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-16(2,3)18-23(21,22)12-7-4-6-11(10-12)14-13(15(19)20)8-5-9-17-14/h4-10,18H,1-3H3,(H,19,20).
What are the key properties of 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid?
2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).