2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid

C11H13F2NO6S — CID 106168686

IUPAC2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C11H13F2NO6S/c12-11(13,7-15)6-14-21(18,19)9-3-1-8(2-4-9)20-5-10(16)17/h1-4,14-15H,5-7H2,(H,16,17)
InChIKeyAVZGLTLXHLQZBY-UHFFFAOYSA-N
MW325.29 g/mol
LogP0.06
Rot. Bonds8

About 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid

2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 106168686) has the molecular formula C11H13F2NO6S and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
PubChem CID106168686
Molecular FormulaC11H13F2NO6S
Molecular Weight325.29 g/mol
Exact Mass325.04
IUPAC Name2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C11H13F2NO6S/c12-11(13,7-15)6-14-21(18,19)9-3-1-8(2-4-9)20-5-10(16)17/h1-4,14-15H,5-7H2,(H,16,17)
InChIKeyAVZGLTLXHLQZBY-UHFFFAOYSA-N
XLogP0.06
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
CID 115405544
2-[4-(3,3-dimethylbutan-2-ylsulfamoyl)phenoxy]acetic acid
CID 104827593
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
2-[4-(pent-4-ynylsulfamoyl)phenoxy]acetic acid
CID 106220067
2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
CID 104656122
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid (CID 106168686) is 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCC(F)(F)CO)cc1.
What is the InChIKey of 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is AVZGLTLXHLQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO6S/c12-11(13,7-15)6-14-21(18,19)9-3-1-8(2-4-9)20-5-10(16)17/h1-4,14-15H,5-7H2,(H,16,17).
What are the key properties of 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid?
2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 325.29 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 106168686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).