2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline

C15H18N2O2S — CID 578751

IUPAC2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N2O2S/c1-16-14-6-4-5-7-15(14)20(18,19)13-10-8-12(9-11-13)17(2)3/h4-11,16H,1-3H3
InChIKeyCGAGZSWPABRSTC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.63
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline

2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline (PubChem CID 578751) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline
PubChem CID578751
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline
SMILESCNc1ccccc1S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H18N2O2S/c1-16-14-6-4-5-7-15(14)20(18,19)13-10-8-12(9-11-13)17(2)3/h4-11,16H,1-3H3
InChIKeyCGAGZSWPABRSTC-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-methylsulfonylaniline;hydrochloride
CID 68840183
4-[4-(dimethylamino)phenyl]sulfonylaniline
CID 516668
N-[[4-(dimethylamino)phenyl]methyl]-2-methylsulfonylaniline
CID 43232226
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257127
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
CID 140973464
1,2-bis(benzenesulfonyl)benzene
CID 19980733
4-(2,4-dinitrophenyl)sulfonyl-N,N-dimethylaniline
CID 4661592
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline?
The IUPAC name of 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline (CID 578751) is 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline is CNc1ccccc1S(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline?
The InChIKey is CGAGZSWPABRSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-16-14-6-4-5-7-15(14)20(18,19)13-10-8-12(9-11-13)17(2)3/h4-11,16H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline?
2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline has a molecular weight of 290.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]sulfonyl-N-methylaniline is sourced from PubChem (CID 578751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).