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

C14H13F2NO3S — CID 3828753

IUPAC2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(CO)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-2-4-13(10(6-9)8-18)17-21(19,20)14-5-3-11(15)7-12(14)16/h2-7,17-18H,8H2,1H3
InChIKeyWINHTCSQWIFSAP-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.57
Rot. Bonds4

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

2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide (PubChem CID 3828753) has the molecular formula C14H13F2NO3S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
PubChem CID3828753
Molecular FormulaC14H13F2NO3S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Name2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(CO)c1
InChIInChI=1S/C14H13F2NO3S/c1-9-2-4-13(10(6-9)8-18)17-21(19,20)14-5-3-11(15)7-12(14)16/h2-7,17-18H,8H2,1H3
InChIKeyWINHTCSQWIFSAP-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
3-chloro-N-[2-(hydroxymethyl)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 74225912

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide (CID 3828753) is 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(CO)c1.
What is the InChIKey of 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
The InChIKey is WINHTCSQWIFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S/c1-9-2-4-13(10(6-9)8-18)17-21(19,20)14-5-3-11(15)7-12(14)16/h2-7,17-18H,8H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide?
2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 3828753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).