N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide

C19H18FNO3S — CID 73168442

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H18FNO3S/c1-24-18(15-8-4-9-16(20)12-15)13-21-25(22,23)19-11-5-7-14-6-2-3-10-17(14)19/h2-12,18,21H,13H2,1H3
InChIKeyKIQQALDVMSZUQU-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide (PubChem CID 73168442) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide
PubChem CID73168442
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C19H18FNO3S/c1-24-18(15-8-4-9-16(20)12-15)13-21-25(22,23)19-11-5-7-14-6-2-3-10-17(14)19/h2-12,18,21H,13H2,1H3
InChIKeyKIQQALDVMSZUQU-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide (CID 73168442) is N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide is COC(CNS(=O)(=O)c1cccc2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide?
The InChIKey is KIQQALDVMSZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-24-18(15-8-4-9-16(20)12-15)13-21-25(22,23)19-11-5-7-14-6-2-3-10-17(14)19/h2-12,18,21H,13H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide has a molecular weight of 359.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 73168442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).