N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

C18H13F2NO3S — CID 177371940

IUPACN-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F
InChIInChI=1S/C18H13F2NO3S/c19-16-7-3-6-15(18(16)20)17(22)11-21-25(23,24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,21H,11H2
InChIKeyCICZMPBFYWSTEY-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide

N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 177371940) has the molecular formula C18H13F2NO3S and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID177371940
Molecular FormulaC18H13F2NO3S
Molecular Weight361.37 g/mol
Exact Mass361.06
IUPAC NameN-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F
InChIInChI=1S/C18H13F2NO3S/c19-16-7-3-6-15(18(16)20)17(22)11-21-25(23,24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,21H,11H2
InChIKeyCICZMPBFYWSTEY-UHFFFAOYSA-N
XLogP3.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide (CID 177371940) is N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is O=C(CNS(=O)(=O)c1ccc2ccccc2c1)c1cccc(F)c1F.
What is the InChIKey of N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is CICZMPBFYWSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3S/c19-16-7-3-6-15(18(16)20)17(22)11-21-25(23,24)14-9-8-12-4-1-2-5-13(12)10-14/h1-10,21H,11H2.
What are the key properties of N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide?
N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 361.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-difluorophenyl)-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 177371940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).