4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

C10H12F3NO3S — CID 154466828

IUPAC4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-7-2-4-8(5-3-7)18(16,17)14-9(6-15)10(11,12)13/h2-5,9,14-15H,6H2,1H3
InChIKeyUXXUMAPFARZZFP-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.20
Rot. Bonds4

About 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 154466828) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID154466828
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO3S/c1-7-2-4-8(5-3-7)18(16,17)14-9(6-15)10(11,12)13/h2-5,9,14-15H,6H2,1H3
InChIKeyUXXUMAPFARZZFP-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylbenzenesulfonamido)propanoic acid
CID 362747
N-(2-Hydroxyethyl)-4-methylbenzenesulfonamide
CID 1895595
2-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
CID 2777710
N-(1-Hydroxymethyl-2-methylsulfanyl-ethyl)-4-methyl-benzenesulfonamide
CID 4681731
p-Toluenesulfonamide, N-sec-butyl-
CID 211876
N-(1-(Hydroxymethyl)propyl)-4-methylbenzenesulfonamide
CID 3692570
N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 8468109
4-methyl-N-(propan-2-yl)benzene-1-sulfonamide
CID 4329528
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid
CID 283773
4-fluoro-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 10084784
(2S)-3-Hydroxy-2-(4-methylbenzenesulfonamido)propanoic acid
CID 774825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (CID 154466828) is 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is UXXUMAPFARZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7-2-4-8(5-3-7)18(16,17)14-9(6-15)10(11,12)13/h2-5,9,14-15H,6H2,1H3.
What are the key properties of 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 154466828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).