3-formyl-N,N,4-trimethylbenzenesulfonamide

C10H13NO3S — CID 105484638

IUPAC3-formyl-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C=O
InChIInChI=1S/C10H13NO3S/c1-8-4-5-10(6-9(8)7-12)15(13,14)11(2)3/h4-7H,1-3H3
InChIKeyRNNLMACBCGRPEN-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.06
Rot. Bonds3

About 3-formyl-N,N,4-trimethylbenzenesulfonamide

3-formyl-N,N,4-trimethylbenzenesulfonamide (PubChem CID 105484638) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-formyl-N,N,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-formyl-N,N,4-trimethylbenzenesulfonamide
PubChem CID105484638
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-formyl-N,N,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C=O
InChIInChI=1S/C10H13NO3S/c1-8-4-5-10(6-9(8)7-12)15(13,14)11(2)3/h4-7H,1-3H3
InChIKeyRNNLMACBCGRPEN-UHFFFAOYSA-N
XLogP1.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
4-[3-(2,5-dimethylphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide
CID 4015705
2,5-dimethylbenzaldehyde;ethane
CID 142106726
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238
3-formyl-N,N-dimethyl-2-(2-methylphenyl)-1H-indole-5-sulfonamide
CID 3428131
2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
CID 24845953
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
CID 139226947
N,N-dimethylazulene-5-sulfonamide
CID 67469153
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
CID 43361881
4-[[(3-fluoro-4-methylphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 119126948
2-tert-butyl-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
CID 3802955
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N,N,4-trimethylbenzenesulfonamide?
The IUPAC name of 3-formyl-N,N,4-trimethylbenzenesulfonamide (CID 105484638) is 3-formyl-N,N,4-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-formyl-N,N,4-trimethylbenzenesulfonamide?
The canonical SMILES for 3-formyl-N,N,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C=O.
What is the InChIKey of 3-formyl-N,N,4-trimethylbenzenesulfonamide?
The InChIKey is RNNLMACBCGRPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-8-4-5-10(6-9(8)7-12)15(13,14)11(2)3/h4-7H,1-3H3.
What are the key properties of 3-formyl-N,N,4-trimethylbenzenesulfonamide?
3-formyl-N,N,4-trimethylbenzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N,N,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 105484638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).