4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline

C14H16N2O2S — CID 134105336

IUPAC4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
SMILESCc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)c1N
InChIInChI=1S/C14H16N2O2S/c1-9-7-13(8-10(2)14(9)16)19(17,18)12-5-3-11(15)4-6-12/h3-8H,15-16H2,1-2H3
InChIKeyDQQCULACBMNOFP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline

4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline (PubChem CID 134105336) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
PubChem CID134105336
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
SMILESCc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)c1N
InChIInChI=1S/C14H16N2O2S/c1-9-7-13(8-10(2)14(9)16)19(17,18)12-5-3-11(15)4-6-12/h3-8H,15-16H2,1-2H3
InChIKeyDQQCULACBMNOFP-UHFFFAOYSA-N
XLogP2.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.30
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-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
3-(4-aminophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 70565114
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-[3,5-bis(ethylsulfanyl)phenyl]sulfonylaniline
CID 23451836
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
CID 90135081
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
4-(4-aminophenyl)-2,6-dimethylaniline;hydrochloride
CID 172858062

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline (CID 134105336) is 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline is Cc1cc(S(=O)(=O)c2ccc(N)cc2)cc(C)c1N.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline?
The InChIKey is DQQCULACBMNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-7-13(8-10(2)14(9)16)19(17,18)12-5-3-11(15)4-6-12/h3-8H,15-16H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline?
4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline has a molecular weight of 276.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline is sourced from PubChem (CID 134105336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).