2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide

C12H18F3NO2S — CID 142166651

IUPAC2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
SMILESCC(C)C.Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S.C4H10/c1-6-3-2-4-7(5-6)12-15(13,14)8(9,10)11;1-4(2)3/h2-5,12H,1H3;4H,1-3H3
InChIKeyQRTLDNXKPZSUOA-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.92
Rot. Bonds2

About 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide

2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide (PubChem CID 142166651) has the molecular formula C12H18F3NO2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
PubChem CID142166651
Molecular FormulaC12H18F3NO2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide
SMILESCC(C)C.Cc1cccc(NS(=O)(=O)C(F)(F)F)c1
InChIInChI=1S/C8H8F3NO2S.C4H10/c1-6-3-2-4-7(5-6)12-15(13,14)8(9,10)11;1-4(2)3/h2-5,12H,1H3;4H,1-3H3
InChIKeyQRTLDNXKPZSUOA-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide
CID 175234546
(3-methylphenyl)sulfamic acid
CID 10307955
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
N-[3-(3,4-dimethylbenzoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 71388181
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide;methane;pentane
CID 158345532
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
(3-methylanilino)-oxosulfanium
CID 143284589
ethyl 3-[3-(trifluoromethylsulfonylamino)phenyl]benzoate
CID 86596855
N-[4-chloro-3-(2-methylpropanoyl)phenyl]-1,1,1-trifluoromethanesulfonamide
CID 142910283
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
O-ethyl [3-(trifluoromethylsulfonylamino)phenyl]methylsulfanylmethanethioate
CID 147553161

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide?
The IUPAC name of 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide (CID 142166651) is 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide is CC(C)C.Cc1cccc(NS(=O)(=O)C(F)(F)F)c1.
What is the InChIKey of 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide?
The InChIKey is QRTLDNXKPZSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S.C4H10/c1-6-3-2-4-7(5-6)12-15(13,14)8(9,10)11;1-4(2)3/h2-5,12H,1H3;4H,1-3H3.
What are the key properties of 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide?
2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1,1,1-trifluoro-N-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 142166651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).