5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid

C10H11F2NO6S — CID 106168637

IUPAC5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)CO)ccc1O
InChIInChI=1S/C10H11F2NO6S/c11-10(12,5-14)4-13-20(18,19)6-1-2-8(15)7(3-6)9(16)17/h1-3,13-15H,4-5H2,(H,16,17)
InChIKeyQBHOSBGBZZMJDP-UHFFFAOYSA-N
MW311.26 g/mol
LogP-0.00
Rot. Bonds6

About 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid

5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 106168637) has the molecular formula C10H11F2NO6S and a molecular weight of 311.26 g/mol. Its IUPAC name is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID106168637
Molecular FormulaC10H11F2NO6S
Molecular Weight311.26 g/mol
Exact Mass311.03
IUPAC Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(F)(F)CO)ccc1O
InChIInChI=1S/C10H11F2NO6S/c11-10(12,5-14)4-13-20(18,19)6-1-2-8(15)7(3-6)9(16)17/h1-3,13-15H,4-5H2,(H,16,17)
InChIKeyQBHOSBGBZZMJDP-UHFFFAOYSA-N
XLogP-0.00
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
CID 113464976
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid (CID 106168637) is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)NCC(F)(F)CO)ccc1O.
What is the InChIKey of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is QBHOSBGBZZMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO6S/c11-10(12,5-14)4-13-20(18,19)6-1-2-8(15)7(3-6)9(16)17/h1-3,13-15H,4-5H2,(H,16,17).
What are the key properties of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 311.26 g/mol, XLogP of -0.00, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 106168637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).