4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

C20H17F2NO3S — CID 25097525

IUPAC4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-13-15(12-24)3-2-4-20(13)23-27(25,26)17-8-5-14(6-9-17)18-10-7-16(21)11-19(18)22/h2-11,23-24H,12H2,1H3
InChIKeyXLELBGJNRPBOIX-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.23
Rot. Bonds5

About 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide

4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (PubChem CID 25097525) has the molecular formula C20H17F2NO3S and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
PubChem CID25097525
Molecular FormulaC20H17F2NO3S
Molecular Weight389.42 g/mol
Exact Mass389.09
IUPAC Name4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
SMILESCc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C20H17F2NO3S/c1-13-15(12-24)3-2-4-20(13)23-27(25,26)17-8-5-14(6-9-17)18-10-7-16(21)11-19(18)22/h2-11,23-24H,12H2,1H3
InChIKeyXLELBGJNRPBOIX-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156010186
4-[4-[(2-Aminophenyl)-hydroxymethyl]phenyl]benzenesulfonamide
CID 156019990
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097035
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-3-methylbenzenesulfonamide
CID 25097265
4-(4-bromophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25097268
4-(4-bromo-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25097521
N-[3,4-bis(hydroxymethyl)phenyl]-4-(2,4-difluorophenyl)benzenesulfonamide
CID 25098083
N-[3,4-bis(hydroxymethyl)phenyl]-4-(4-fluorophenyl)benzenesulfonamide
CID 25098084
4-(4-chloro-2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide
CID 25098085
4-(4-fluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 25098088
N-[2-[hydroxy(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 4587533
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]-3-methylbenzenesulfonamide
CID 71717422

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide (CID 25097525) is 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is Cc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is XLELBGJNRPBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO3S/c1-13-15(12-24)3-2-4-20(13)23-27(25,26)17-8-5-14(6-9-17)18-10-7-16(21)11-19(18)22/h2-11,23-24H,12H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide?
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 389.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 25097525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).