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

C10H11BrF3NO3S — CID 103834009

IUPAC5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H11BrF3NO3S/c1-6-2-3-7(11)4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyYCAHSDQUVGDQHI-UHFFFAOYSA-N
MW362.17 g/mol
LogP1.96
Rot. Bonds4

About 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834009) has the molecular formula C10H11BrF3NO3S and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834009
Molecular FormulaC10H11BrF3NO3S
Molecular Weight362.17 g/mol
Exact Mass360.96
IUPAC Name5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H11BrF3NO3S/c1-6-2-3-7(11)4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyYCAHSDQUVGDQHI-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834009) is 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is YCAHSDQUVGDQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO3S/c1-6-2-3-7(11)4-8(6)19(17,18)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 362.17 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).