N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide

C15H15F2NO5S2 — CID 19817742

IUPACN-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO5S2/c1-9(19)10-3-5-13(18-24(2,20)21)15(7-10)25(22,23)14-6-4-11(16)8-12(14)17/h3-9,18-19H,1-2H3
InChIKeyWJRRQWMMCLCTEA-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide

N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide (PubChem CID 19817742) has the molecular formula C15H15F2NO5S2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide
PubChem CID19817742
Molecular FormulaC15H15F2NO5S2
Molecular Weight391.42 g/mol
Exact Mass391.04
IUPAC NameN-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO5S2/c1-9(19)10-3-5-13(18-24(2,20)21)15(7-10)25(22,23)14-6-4-11(16)8-12(14)17/h3-9,18-19H,1-2H3
InChIKeyWJRRQWMMCLCTEA-UHFFFAOYSA-N
XLogP2.22
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[4-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416719
2,5-difluoro-N-[3-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43508632
(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
CID 10738085
4-(2,4-difluorophenyl)sulfonyl-5-methylbenzene-1,2-diol
CID 23312058
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508631
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 79760758
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
(1S)-1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63812972

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide (CID 19817742) is N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide is CC(O)c1ccc(NS(C)(=O)=O)c(S(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The InChIKey is WJRRQWMMCLCTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO5S2/c1-9(19)10-3-5-13(18-24(2,20)21)15(7-10)25(22,23)14-6-4-11(16)8-12(14)17/h3-9,18-19H,1-2H3.
What are the key properties of N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide?
N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 19817742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).