3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide

C9H13FN2O5S2 — CID 55014078

IUPAC3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H13FN2O5S2/c1-17-2-3-18(13,14)12-8-4-7(10)5-9(6-8)19(11,15)16/h4-6,12H,2-3H2,1H3,(H2,11,15,16)
InChIKeyOAYPZRWMXKSNIC-UHFFFAOYSA-N
MW312.34 g/mol
LogP-0.14
Rot. Bonds6

About 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide

3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide (PubChem CID 55014078) has the molecular formula C9H13FN2O5S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
PubChem CID55014078
Molecular FormulaC9H13FN2O5S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C9H13FN2O5S2/c1-17-2-3-18(13,14)12-8-4-7(10)5-9(6-8)19(11,15)16/h4-6,12H,2-3H2,1H3,(H2,11,15,16)
InChIKeyOAYPZRWMXKSNIC-UHFFFAOYSA-N
XLogP-0.14
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
CID 63687706
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
CID 79768293
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
3-[(2-methoxyethylsulfonylamino)methyl]benzenesulfonamide
CID 55014687
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 47337151
N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110312115

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The IUPAC name of 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide (CID 55014078) is 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide is COCCS(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide?
The InChIKey is OAYPZRWMXKSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O5S2/c1-17-2-3-18(13,14)12-8-4-7(10)5-9(6-8)19(11,15)16/h4-6,12H,2-3H2,1H3,(H2,11,15,16).
What are the key properties of 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide?
3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 55014078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).