N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide

C13H11F2NO4S — CID 14722268

IUPACN-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(O)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO4S/c1-21(18,19)16-11-7-9(17)3-5-13(11)20-12-4-2-8(14)6-10(12)15/h2-7,16-17H,1H3
InChIKeyBDPQRRZXBVVCQO-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.83
Rot. Bonds4

About N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide

N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide (PubChem CID 14722268) has the molecular formula C13H11F2NO4S and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide
PubChem CID14722268
Molecular FormulaC13H11F2NO4S
Molecular Weight315.30 g/mol
Exact Mass315.04
IUPAC NameN-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(O)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C13H11F2NO4S/c1-21(18,19)16-11-7-9(17)3-5-13(11)20-12-4-2-8(14)6-10(12)15/h2-7,16-17H,1H3
InChIKeyBDPQRRZXBVVCQO-UHFFFAOYSA-N
XLogP2.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide (CID 14722268) is N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(O)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide?
The InChIKey is BDPQRRZXBVVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S/c1-21(18,19)16-11-7-9(17)3-5-13(11)20-12-4-2-8(14)6-10(12)15/h2-7,16-17H,1H3.
What are the key properties of N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide?
N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide has a molecular weight of 315.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenoxy)-5-hydroxyphenyl]methanesulfonamide is sourced from PubChem (CID 14722268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).