N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide

C22H22N2O3S — CID 20827669

IUPACN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4/h5-13,24H,1-4H3
InChIKeyDWTBPCJPQRUYNS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.35
Rot. Bonds5

About N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide

N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 20827669) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID20827669
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4/h5-13,24H,1-4H3
InChIKeyDWTBPCJPQRUYNS-UHFFFAOYSA-N
XLogP4.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
N-[4,5-dimethyl-2-(2-methyl-1-oxidopyridin-1-ium-3-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 20827676
N-[4,5-dimethyl-2-(6-methyl-1-oxidopyridin-1-ium-2-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 20827675
N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4,5-dimethyl-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide;ethane;N-[2-(1-methoxy-3-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide;N-[2-(1-methoxy-6-methylpyridin-1-ium-2-carbonyl)-4,5-dimethylphenyl]-4-methylbenzenesulfonamide
CID 161365647
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpyridine-3-carboxamide
CID 15293871
2-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 169370457

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide (CID 20827669) is N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)c2cccnc2C)cc1.
What is the InChIKey of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is DWTBPCJPQRUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-7-9-18(10-8-14)28(26,27)24-21-13-16(3)15(2)12-20(21)22(25)19-6-5-11-23-17(19)4/h5-13,24H,1-4H3.
What are the key properties of N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide?
N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 20827669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).