N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide

C10H14FNO5S — CID 114008662

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1ccccc1F
InChIInChI=1S/C10H14FNO5S/c11-8-3-1-2-4-9(8)18(16,17)12-10(5-13,6-14)7-15/h1-4,12-15H,5-7H2
InChIKeyZSKJNPVFJJSWCW-UHFFFAOYSA-N
MW279.29 g/mol
LogP-1.18
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 114008662) has the molecular formula C10H14FNO5S and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID114008662
Molecular FormulaC10H14FNO5S
Molecular Weight279.29 g/mol
Exact Mass279.06
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1ccccc1F
InChIInChI=1S/C10H14FNO5S/c11-8-3-1-2-4-9(8)18(16,17)12-10(5-13,6-14)7-15/h1-4,12-15H,5-7H2
InChIKeyZSKJNPVFJJSWCW-UHFFFAOYSA-N
XLogP-1.18
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 107843632
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886
2-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzenesulfonamide
CID 107866862
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzenesulfonamide
CID 107843628
4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide (CID 114008662) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide is O=S(=O)(NC(CO)(CO)CO)c1ccccc1F.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is ZSKJNPVFJJSWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO5S/c11-8-3-1-2-4-9(8)18(16,17)12-10(5-13,6-14)7-15/h1-4,12-15H,5-7H2.
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 279.29 g/mol, XLogP of -1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 114008662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).