4-(2,4-dimethylphenyl)sulfonylaniline

C14H15NO2S — CID 23274877

IUPAC4-(2,4-dimethylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-10-3-8-14(11(2)9-10)18(16,17)13-6-4-12(15)5-7-13/h3-9H,15H2,1-2H3
InChIKeyYTPKVTAYQVPKRC-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.72
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfonylaniline

4-(2,4-dimethylphenyl)sulfonylaniline (PubChem CID 23274877) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonylaniline.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonylaniline
PubChem CID23274877
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-(2,4-dimethylphenyl)sulfonylaniline
SMILESCc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-10-3-8-14(11(2)9-10)18(16,17)13-6-4-12(15)5-7-13/h3-9H,15H2,1-2H3
InChIKeyYTPKVTAYQVPKRC-UHFFFAOYSA-N
XLogP2.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dimethylphenyl)sulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
2-Amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile
CID 1536
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
CID 69034
4-Methanesulfonyl-3-methylaniline
CID 825918
4-(Phenylsulfonyl)aniline
CID 516666
5,5-Dioxo-2-aminodibenzothiophene
CID 14918529
4-((4-Methylphenyl)sulfonyl)aniline
CID 363136
4-Methyl-N-(3-methylphenyl)benzenesulfonamide
CID 201604
{4-[4-(Propan-2-yl)benzenesulfonyl]phenyl}hydrazine
CID 2390001
2-Mesitylenesulfonanilide
CID 223608
Benzenesulfonamide, N-[4-(aminosulfonyl)phenyl]-4-methyl-
CID 774518

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonylaniline?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonylaniline (CID 23274877) is 4-(2,4-dimethylphenyl)sulfonylaniline.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonylaniline?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonylaniline is Cc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonylaniline?
The InChIKey is YTPKVTAYQVPKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-3-8-14(11(2)9-10)18(16,17)13-6-4-12(15)5-7-13/h3-9H,15H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonylaniline?
4-(2,4-dimethylphenyl)sulfonylaniline has a molecular weight of 261.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonylaniline is sourced from PubChem (CID 23274877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).