2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide

C10H13FN2O5S — CID 69223080

IUPAC2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
SMILESCOc1cc(F)c(S(=O)(=O)C(N)C(N)=O)cc1OC
InChIInChI=1S/C10H13FN2O5S/c1-17-6-3-5(11)8(4-7(6)18-2)19(15,16)10(13)9(12)14/h3-4,10H,13H2,1-2H3,(H2,12,14)
InChIKeySFHFPIKDOWLJBP-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.61
Rot. Bonds5

About 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide

2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide (PubChem CID 69223080) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
PubChem CID69223080
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
SMILESCOc1cc(F)c(S(=O)(=O)C(N)C(N)=O)cc1OC
InChIInChI=1S/C10H13FN2O5S/c1-17-6-3-5(11)8(4-7(6)18-2)19(15,16)10(13)9(12)14/h3-4,10H,13H2,1-2H3,(H2,12,14)
InChIKeySFHFPIKDOWLJBP-UHFFFAOYSA-N
XLogP-0.61
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]cyclopentane-1-carboxamide
CID 75391645
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
CID 61234361
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
1-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370203
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
N-(4-acetyl-2,3,6-trifluorophenyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 75458403
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide?
The IUPAC name of 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide (CID 69223080) is 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide.
What is the SMILES notation for 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide?
The canonical SMILES for 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide is COc1cc(F)c(S(=O)(=O)C(N)C(N)=O)cc1OC.
What is the InChIKey of 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide?
The InChIKey is SFHFPIKDOWLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c1-17-6-3-5(11)8(4-7(6)18-2)19(15,16)10(13)9(12)14/h3-4,10H,13H2,1-2H3,(H2,12,14).
What are the key properties of 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide?
2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide has a molecular weight of 292.29 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 69223080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).