N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide

C16H20N2O2S — CID 3376238

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-5-7-15(8-6-14)21(19,20)18-16-10-12(3)9-13(4)17-16/h5-11H,1-4H3,(H,17,18)
InChIKeyCWRRHVVBNVVRMZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.62
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide

N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3376238) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID3376238
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14-5-7-15(8-6-14)21(19,20)18-16-10-12(3)9-13(4)17-16/h5-11H,1-4H3,(H,17,18)
InChIKeyCWRRHVVBNVVRMZ-UHFFFAOYSA-N
XLogP3.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
4-butyl-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 3771750
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
3-bromo-N-(4,6-dimethyl-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 115749665
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide (CID 3376238) is N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is CWRRHVVBNVVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)14-5-7-15(8-6-14)21(19,20)18-16-10-12(3)9-13(4)17-16/h5-11H,1-4H3,(H,17,18).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3376238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).