N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide

C10H14FNO6S2 — CID 66177540

IUPACN-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C10H14FNO6S2/c1-19(15,16)8-2-3-9(11)10(4-8)20(17,18)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3
InChIKeyDIZYREUDPUSENQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP-1.14
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide

N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide (PubChem CID 66177540) has the molecular formula C10H14FNO6S2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
PubChem CID66177540
Molecular FormulaC10H14FNO6S2
Molecular Weight327.36 g/mol
Exact Mass327.02
IUPAC NameN-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCC(O)CO)c1
InChIInChI=1S/C10H14FNO6S2/c1-19(15,16)8-2-3-9(11)10(4-8)20(17,18)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3
InChIKeyDIZYREUDPUSENQ-UHFFFAOYSA-N
XLogP-1.14
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
2-fluoro-N-[(2R)-2-hydroxypropyl]-5-methylsulfonylbenzenesulfonamide
CID 83058758
3-(2-fluoro-5-methylsulfonylanilino)propane-1,2-diol
CID 168593347
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755904
5-amino-N-(2,3-dihydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 66177364
N-ethoxy-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 64973761
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
3-(2,3-dihydroxypropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 66168902
2-fluoro-5-methylsulfonyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 113465537

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide (CID 66177540) is N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)NCC(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
The InChIKey is DIZYREUDPUSENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO6S2/c1-19(15,16)8-2-3-9(11)10(4-8)20(17,18)12-5-7(14)6-13/h2-4,7,12-14H,5-6H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide?
N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide has a molecular weight of 327.36 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-fluoro-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 66177540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).