4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide

C16H20N2O3S — CID 167933154

IUPAC4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1=O
InChIInChI=1S/C16H20N2O3S/c1-16(2,3)12-5-7-14(8-6-12)22(20,21)17-13-9-10-18(4)15(19)11-13/h5-11,17H,1-4H3
InChIKeyQPNRJRLJUPLCPK-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds3

About 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide

4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide (PubChem CID 167933154) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide
PubChem CID167933154
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1=O
InChIInChI=1S/C16H20N2O3S/c1-16(2,3)12-5-7-14(8-6-12)22(20,21)17-13-9-10-18(4)15(19)11-13/h5-11,17H,1-4H3
InChIKeyQPNRJRLJUPLCPK-UHFFFAOYSA-N
XLogP2.48
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
4-tert-butyl-N-(3-formylphenyl)benzenesulfonamide
CID 1249997
3-[(4-tert-butylphenyl)sulfonylamino]benzoate
CID 7720201
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
4-tert-butyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 7014167
N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 162674533
5-[(4-tert-butylphenyl)sulfonylamino]-2-carboxyphenolate
CID 54725188
4-amino-N-(1-ethyl-2-oxo-4-pyridinyl)benzenesulfonamide
CID 95005289
4-tert-butyl-N-(3-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide;hydrochloride
CID 67228465
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
3-[(4-tert-butylphenyl)sulfonylamino]-N-methylbenzamide
CID 31580711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide (CID 167933154) is 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1=O.
What is the InChIKey of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide?
The InChIKey is QPNRJRLJUPLCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-16(2,3)12-5-7-14(8-6-12)22(20,21)17-13-9-10-18(4)15(19)11-13/h5-11,17H,1-4H3.
What are the key properties of 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide?
4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methyl-2-oxo-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 167933154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).