2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H13F4NO2S — CID 54979868

IUPAC2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13F4NO2S/c1-8(2)16(7-11(13,14)15)19(17,18)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeySDTGKXYWTYGTOX-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.79
Rot. Bonds4

About 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54979868) has the molecular formula C11H13F4NO2S and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54979868
Molecular FormulaC11H13F4NO2S
Molecular Weight299.29 g/mol
Exact Mass299.06
IUPAC Name2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H13F4NO2S/c1-8(2)16(7-11(13,14)15)19(17,18)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3
InChIKeySDTGKXYWTYGTOX-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 81242025
4-(chloromethyl)-2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79177243
3-[(2-fluorophenyl)sulfonyl-propan-2-ylamino]propanoic acid
CID 60829140
5-amino-2,3-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 65020571
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
2-bromo-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61216605
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62058300
4-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62147634
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54979868) is 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is SDTGKXYWTYGTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO2S/c1-8(2)16(7-11(13,14)15)19(17,18)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 299.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54979868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).