4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide

C14H20ClF3N2O2S — CID 8716905

IUPAC4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H20ClF3N2O2S/c1-13(2,9-20(3)4)8-19-23(21,22)10-5-6-12(15)11(7-10)14(16,17)18/h5-7,19H,8-9H2,1-4H3
InChIKeyRORKLFUPHVZBOB-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.22
Rot. Bonds6

About 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 8716905) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID8716905
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC Name4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H20ClF3N2O2S/c1-13(2,9-20(3)4)8-19-23(21,22)10-5-6-12(15)11(7-10)14(16,17)18/h5-7,19H,8-9H2,1-4H3
InChIKeyRORKLFUPHVZBOB-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide chloride
CID 53350877
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
5-amino-2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 29033224
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-phenylbenzenesulfonamide
CID 4993242

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide (CID 8716905) is 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RORKLFUPHVZBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF3N2O2S/c1-13(2,9-20(3)4)8-19-23(21,22)10-5-6-12(15)11(7-10)14(16,17)18/h5-7,19H,8-9H2,1-4H3.
What are the key properties of 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 372.84 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8716905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).