2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide

C9H12FNO3S — CID 11075313

IUPAC2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-5,12H,6H2,1-2H3
InChIKeyNYCJBCPWRXRSBN-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.57
Rot. Bonds3

About 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide

2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 11075313) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
PubChem CID11075313
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C9H12FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-5,12H,6H2,1-2H3
InChIKeyNYCJBCPWRXRSBN-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide (CID 11075313) is 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(CO)ccc1F.
What is the InChIKey of 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is NYCJBCPWRXRSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-11(2)15(13,14)9-5-7(6-12)3-4-8(9)10/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide?
2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(hydroxymethyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 11075313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).