4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane

C21H21F2NO3S — CID 145477038

IUPAC4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
SMILESCC.O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2NO3S.C2H6/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23;1-2/h1-11,22-23H,12H2;1-2H3
InChIKeyCQXBSMASARUSNF-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.95
Rot. Bonds5

About 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane

4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane (PubChem CID 145477038) has the molecular formula C21H21F2NO3S and a molecular weight of 405.47 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
PubChem CID145477038
Molecular FormulaC21H21F2NO3S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane
SMILESCC.O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H15F2NO3S.C2H6/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23;1-2/h1-11,22-23H,12H2;1-2H3
InChIKeyCQXBSMASARUSNF-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane?
The IUPAC name of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane (CID 145477038) is 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane is CC.O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane?
The InChIKey is CQXBSMASARUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S.C2H6/c20-15-6-9-18(19(21)11-15)14-4-7-17(8-5-14)26(24,25)22-16-3-1-2-13(10-16)12-23;1-2/h1-11,22-23H,12H2;1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane?
4-(2,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]benzenesulfonamide;ethane has a molecular weight of 405.47 g/mol, XLogP of 4.95, 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)phenyl]benzenesulfonamide;ethane is sourced from PubChem (CID 145477038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).