4-[4-(dimethylamino)phenyl]sulfonylaniline

C14H16N2O2S — CID 516668

IUPAC4-[4-(dimethylamino)phenyl]sulfonylaniline
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-16(2)12-5-9-14(10-6-12)19(17,18)13-7-3-11(15)4-8-13/h3-10H,15H2,1-2H3
InChIKeyBAFBTALEMBECSK-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.17
Rot. Bonds3

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

4-[4-(dimethylamino)phenyl]sulfonylaniline (PubChem CID 516668) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]sulfonylaniline
PubChem CID516668
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[4-(dimethylamino)phenyl]sulfonylaniline
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-16(2)12-5-9-14(10-6-12)19(17,18)13-7-3-11(15)4-8-13/h3-10H,15H2,1-2H3
InChIKeyBAFBTALEMBECSK-UHFFFAOYSA-N
XLogP2.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-(methylamino)phenyl]sulfonylaniline
CID 504062
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
4-(4-aminophenyl)sulfonylaniline;ethanesulfonic acid
CID 506593
5-[4-(dimethylamino)phenyl]sulfonyl-N,N-dimethylthiophene-2-sulfonamide
CID 70520887
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
sodium;4-(4-aminophenyl)sulfonylaniline;cyanate
CID 67466349
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
4-(4-aminophenyl)sulfonyl-2,6-dimethylaniline
CID 134105336
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[(6-methyl-3-pyridinyl)sulfonyl]aniline
CID 90135081
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]sulfonylaniline?
The IUPAC name of 4-[4-(dimethylamino)phenyl]sulfonylaniline (CID 516668) is 4-[4-(dimethylamino)phenyl]sulfonylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]sulfonylaniline?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]sulfonylaniline is CN(C)c1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]sulfonylaniline?
The InChIKey is BAFBTALEMBECSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16(2)12-5-9-14(10-6-12)19(17,18)13-7-3-11(15)4-8-13/h3-10H,15H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]sulfonylaniline?
4-[4-(dimethylamino)phenyl]sulfonylaniline has a molecular weight of 276.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]sulfonylaniline is sourced from PubChem (CID 516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).