2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide

C12H18FNO6S — CID 61234361

IUPAC2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(CCO)CCO)cc1OC
InChIInChI=1S/C12H18FNO6S/c1-19-10-7-9(13)12(8-11(10)20-2)21(17,18)14(3-5-15)4-6-16/h7-8,15-16H,3-6H2,1-2H3
InChIKeyWFSVFQXLRXBVKL-UHFFFAOYSA-N
MW323.34 g/mol
LogP-0.18
Rot. Bonds8

About 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide

2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 61234361) has the molecular formula C12H18FNO6S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
PubChem CID61234361
Molecular FormulaC12H18FNO6S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)N(CCO)CCO)cc1OC
InChIInChI=1S/C12H18FNO6S/c1-19-10-7-9(13)12(8-11(10)20-2)21(17,18)14(3-5-15)4-6-16/h7-8,15-16H,3-6H2,1-2H3
InChIKeyWFSVFQXLRXBVKL-UHFFFAOYSA-N
XLogP-0.18
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
2-fluoro-N-(2-hydroxyethyl)-4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 116529055
5-amino-4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 116530121
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
2-amino-2-(2-fluoro-4,5-dimethoxyphenyl)sulfonylacetamide
CID 69223080
5-amino-N,N-dibutyl-2,4-difluorobenzenesulfonamide
CID 28982353
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide (CID 61234361) is 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide is COc1cc(F)c(S(=O)(=O)N(CCO)CCO)cc1OC.
What is the InChIKey of 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is WFSVFQXLRXBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO6S/c1-19-10-7-9(13)12(8-11(10)20-2)21(17,18)14(3-5-15)4-6-16/h7-8,15-16H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide?
2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 323.34 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-bis(2-hydroxyethyl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 61234361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).