4-[4-(methylamino)phenyl]sulfonylaniline

C13H14N2O2S — CID 504062

IUPAC4-[4-(methylamino)phenyl]sulfonylaniline
SMILESCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-15-11-4-8-13(9-5-11)18(16,17)12-6-2-10(14)3-7-12/h2-9,15H,14H2,1H3
InChIKeyLOXMTPXGOUSTAD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.14
Rot. Bonds3

About 4-[4-(methylamino)phenyl]sulfonylaniline

4-[4-(methylamino)phenyl]sulfonylaniline (PubChem CID 504062) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[4-(methylamino)phenyl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-(methylamino)phenyl]sulfonylaniline
PubChem CID504062
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-[4-(methylamino)phenyl]sulfonylaniline
SMILESCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H14N2O2S/c1-15-11-4-8-13(9-5-11)18(16,17)12-6-2-10(14)3-7-12/h2-9,15H,14H2,1H3
InChIKeyLOXMTPXGOUSTAD-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-amino-N-[4-(4-aminophenyl)sulfonylphenyl]benzenesulfonamide
CID 13052807
1-[4-(4-aminophenyl)sulfonylanilino]ethanol
CID 23067525
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
4-[4-(butylamino)phenyl]sulfonylaniline
CID 73012667
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
2-N-[4-(4-aminophenyl)sulfonylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 24838174
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
CID 134105336
4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
CID 90135081

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenyl]sulfonylaniline?
The IUPAC name of 4-[4-(methylamino)phenyl]sulfonylaniline (CID 504062) is 4-[4-(methylamino)phenyl]sulfonylaniline.
What is the SMILES notation for 4-[4-(methylamino)phenyl]sulfonylaniline?
The canonical SMILES for 4-[4-(methylamino)phenyl]sulfonylaniline is CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenyl]sulfonylaniline?
The InChIKey is LOXMTPXGOUSTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15-11-4-8-13(9-5-11)18(16,17)12-6-2-10(14)3-7-12/h2-9,15H,14H2,1H3.
What are the key properties of 4-[4-(methylamino)phenyl]sulfonylaniline?
4-[4-(methylamino)phenyl]sulfonylaniline has a molecular weight of 262.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenyl]sulfonylaniline is sourced from PubChem (CID 504062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).