2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide

C19H15F2NO3S — CID 3715748

IUPAC2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(F)cccc1F
InChIInChI=1S/C19H15F2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2
InChIKeyJYHZGURELHCQIE-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.34
Rot. Bonds6

About 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide

2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 3715748) has the molecular formula C19H15F2NO3S and a molecular weight of 375.40 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID3715748
Molecular FormulaC19H15F2NO3S
Molecular Weight375.40 g/mol
Exact Mass375.07
IUPAC Name2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(F)cccc1F
InChIInChI=1S/C19H15F2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2
InChIKeyJYHZGURELHCQIE-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide (CID 3715748) is 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OCc2ccccc2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is JYHZGURELHCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3S/c20-17-10-5-11-18(21)19(17)26(23,24)22-15-8-4-9-16(12-15)25-13-14-6-2-1-3-7-14/h1-12,22H,13H2.
What are the key properties of 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide?
2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 375.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3715748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).