N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide

C15H16FNO6S2 — CID 47784339

IUPACN-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cc1
InChIInChI=1S/C15H16FNO6S2/c1-24(19,20)12-3-5-13(6-4-12)25(21,22)17-14-7-2-11(16)10-15(14)23-9-8-18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyLSAMBRLGLZEQHY-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.40
Rot. Bonds7

About N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide

N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 47784339) has the molecular formula C15H16FNO6S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID47784339
Molecular FormulaC15H16FNO6S2
Molecular Weight389.43 g/mol
Exact Mass389.04
IUPAC NameN-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cc1
InChIInChI=1S/C15H16FNO6S2/c1-24(19,20)12-3-5-13(6-4-12)25(21,22)17-14-7-2-11(16)10-15(14)23-9-8-18/h2-7,10,17-18H,8-9H2,1H3
InChIKeyLSAMBRLGLZEQHY-UHFFFAOYSA-N
XLogP1.40
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61045709
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
CID 71862509
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747
N-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]-4-methylbenzenesulfonamide
CID 169371660
N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 24656665
2-[(2,4-difluorophenyl)methyl]-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrimidine
CID 45267733
5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide (CID 47784339) is N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCO)cc1.
What is the InChIKey of N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is LSAMBRLGLZEQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO6S2/c1-24(19,20)12-3-5-13(6-4-12)25(21,22)17-14-7-2-11(16)10-15(14)23-9-8-18/h2-7,10,17-18H,8-9H2,1H3.
What are the key properties of N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide?
N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 389.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-hydroxyethoxy)phenyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 47784339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).