N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide

C15H15NO3S — CID 132937124

IUPACN-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2C=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-5-3-4-12(2)14(15)10-17/h3-10,16H,1-2H3
InChIKeyPGILIHBCMHSOFQ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.92
Rot. Bonds4

About N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide

N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 132937124) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID132937124
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2C=O)cc1
InChIInChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-5-3-4-12(2)14(15)10-17/h3-10,16H,1-2H3
InChIKeyPGILIHBCMHSOFQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-formyl-3-iodophenyl)-4-methylbenzenesulfonamide
CID 132509795
N-(3-fluoro-2-formylphenyl)-4-methylbenzenesulfonamide
CID 132509796
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N'-(2-methylphenyl)benzenesulfonohydrazide
CID 102581241

Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide (CID 132937124) is N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C=O)cc1.
What is the InChIKey of N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is PGILIHBCMHSOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-6-8-13(9-7-11)20(18,19)16-15-5-3-4-12(2)14(15)10-17/h3-10,16H,1-2H3.
What are the key properties of N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide?
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 132937124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).