2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C10H12F3NO3S — CID 103834006

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-7-4-2-3-5-8(7)18(16,17)14-6-9(15)10(11,12)13/h2-5,9,14-15H,6H2,1H3
InChIKeyPVEHGRKAKSMHSD-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.20
Rot. Bonds4

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

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834006) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834006
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-7-4-2-3-5-8(7)18(16,17)14-6-9(15)10(11,12)13/h2-5,9,14-15H,6H2,1H3
InChIKeyPVEHGRKAKSMHSD-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834006) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is PVEHGRKAKSMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-7-4-2-3-5-8(7)18(16,17)14-6-9(15)10(11,12)13/h2-5,9,14-15H,6H2,1H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)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 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).