2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide

C14H13F2NO3S — CID 79178765

IUPAC2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H13F2NO3S/c1-17(13-5-3-2-4-11(13)15)21(19,20)14-7-6-10(9-18)8-12(14)16/h2-8,18H,9H2,1H3
InChIKeyCLMMKNMHPSGZFM-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.28
Rot. Bonds4

About 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide

2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 79178765) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID79178765
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H13F2NO3S/c1-17(13-5-3-2-4-11(13)15)21(19,20)14-7-6-10(9-18)8-12(14)16/h2-8,18H,9H2,1H3
InChIKeyCLMMKNMHPSGZFM-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79186955
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
(4-ethylsulfonyl-3-fluorophenyl)methanol
CID 112594378
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 102703920
[3-(dimethylamino)-4-fluorophenyl]methanol;ethane
CID 144961766
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
N-ethyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 79186950
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 79178765) is 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide is CN(c1ccccc1F)S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is CLMMKNMHPSGZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-17(13-5-3-2-4-11(13)15)21(19,20)14-7-6-10(9-18)8-12(14)16/h2-8,18H,9H2,1H3.
What are the key properties of 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide?
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79178765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).