5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide

C9H11F3N2O2S — CID 162727332

IUPAC5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-14(2)17(15,16)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyHLHMELWFCNZRRC-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.54
Rot. Bonds2

About 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide

5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 162727332) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID162727332
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-14(2)17(15,16)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyHLHMELWFCNZRRC-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
5-Amino-2-methylbenzenesulfonic acid
CID 67054
5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
N,N,2-trimethyl-5-nitrobenzenesulfonamide
CID 2921148
Benzenesulfonamide, 5-amino-2-methyl-N-phenyl-
CID 66235
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
3-amino-N,N-dimethylbenzene-1-sulfonamide
CID 235520
5-Amino-2-methylbenzenesulfonamide
CID 235511
N-(4-Methylphenyl)benzenesulfonamide
CID 238717
3-Amino-4-methylbenzenesulfonamide
CID 235510
3-(Azepane-1-sulfonyl)-4-methylaniline
CID 3726934

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide (CID 162727332) is 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(N)ccc1C(F)(F)F.
What is the InChIKey of 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HLHMELWFCNZRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-14(2)17(15,16)8-5-6(13)3-4-7(8)9(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide?
5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-dimethyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 162727332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).