3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

C11H13F4NO3S — CID 106295786

IUPAC3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO3S/c1-7-8(5-17)3-2-4-9(7)20(18,19)16-6-11(14,15)10(12)13/h2-4,10,16-17H,5-6H2,1H3
InChIKeySRGMVNMQDHMPIX-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.67
Rot. Bonds6

About 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (PubChem CID 106295786) has the molecular formula C11H13F4NO3S and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
PubChem CID106295786
Molecular FormulaC11H13F4NO3S
Molecular Weight315.29 g/mol
Exact Mass315.06
IUPAC Name3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H13F4NO3S/c1-7-8(5-17)3-2-4-9(7)20(18,19)16-6-11(14,15)10(12)13/h2-4,10,16-17H,5-6H2,1H3
InChIKeySRGMVNMQDHMPIX-UHFFFAOYSA-N
XLogP1.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295804
3-(aminomethyl)-5-chloro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295911
5-amino-2,4-difluoro-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106289392
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106043704
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
4-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293636
3-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 66186486
3-(hydroxymethyl)-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551624
4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
N-(3-hydroxy-2,2-dimethylpropyl)-2-methyl-3-nitrobenzenesulfonamide
CID 115363056

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The IUPAC name of 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (CID 106295786) is 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is Cc1c(CO)cccc1S(=O)(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The InChIKey is SRGMVNMQDHMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO3S/c1-7-8(5-17)3-2-4-9(7)20(18,19)16-6-11(14,15)10(12)13/h2-4,10,16-17H,5-6H2,1H3.
What are the key properties of 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide has a molecular weight of 315.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is sourced from PubChem (CID 106295786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).