N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide

C10H12F3NO3S — CID 97258189

IUPACN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide
SMILESCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12F3NO3S/c1-14(7-9(15)10(11,12)13)18(16,17)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9-/m0/s1
InChIKeyQAGYDZYFWXZYPV-VIFPVBQESA-N
MW283.27 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide

N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide (PubChem CID 97258189) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide
PubChem CID97258189
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC NameN-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide
SMILESCN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12F3NO3S/c1-14(7-9(15)10(11,12)13)18(16,17)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9-/m0/s1
InChIKeyQAGYDZYFWXZYPV-VIFPVBQESA-N
XLogP1.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide (CID 97258189) is N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide is CN(C[C@H](O)C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is QAGYDZYFWXZYPV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-14(7-9(15)10(11,12)13)18(16,17)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide?
N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 97258189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).