N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide

C15H22F3NO2S — CID 173006835

IUPACN,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H22F3NO2S/c1-14(2,3)13(10-22(20,21)19(4)5)11-7-6-8-12(9-11)15(16,17)18/h6-9,13H,10H2,1-5H3
InChIKeyNNIMFITWNHDPEL-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.73
Rot. Bonds4

About N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide

N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide (PubChem CID 173006835) has the molecular formula C15H22F3NO2S and a molecular weight of 337.41 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide
PubChem CID173006835
Molecular FormulaC15H22F3NO2S
Molecular Weight337.41 g/mol
Exact Mass337.13
IUPAC NameN,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CC(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H22F3NO2S/c1-14(2,3)13(10-22(20,21)19(4)5)11-7-6-8-12(9-11)15(16,17)18/h6-9,13H,10H2,1-5H3
InChIKeyNNIMFITWNHDPEL-UHFFFAOYSA-N
XLogP3.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
CID 130332257
[3,3-dimethyl-2-[3-(trifluoromethyl)phenyl]butyl] sulfamate
CID 173006917
2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850671
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
CID 71911336
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
N-ethyl-2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850631
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide (CID 173006835) is N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide is CN(C)S(=O)(=O)CC(c1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The InChIKey is NNIMFITWNHDPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2S/c1-14(2,3)13(10-22(20,21)19(4)5)11-7-6-8-12(9-11)15(16,17)18/h6-9,13H,10H2,1-5H3.
What are the key properties of N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 173006835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).