N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

C23H18FNO3S — CID 57399539

IUPACN-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(F)c4)cc3)ccc2c1
InChIInChI=1S/C23H18FNO3S/c1-28-22-11-7-19-15-23(12-8-18(19)14-22)29(26,27)25-21-9-5-16(6-10-21)17-3-2-4-20(24)13-17/h2-15,25H,1H3
InChIKeyMMORZGWANDFQPZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.46
Rot. Bonds5

About N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide

N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (PubChem CID 57399539) has the molecular formula C23H18FNO3S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
PubChem CID57399539
Molecular FormulaC23H18FNO3S
Molecular Weight407.47 g/mol
Exact Mass407.10
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(F)c4)cc3)ccc2c1
InChIInChI=1S/C23H18FNO3S/c1-28-22-11-7-19-15-23(12-8-18(19)14-22)29(26,27)25-21-9-5-16(6-10-21)17-3-2-4-20(24)13-17/h2-15,25H,1H3
InChIKeyMMORZGWANDFQPZ-UHFFFAOYSA-N
XLogP5.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (CID 57399539) is N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(F)c4)cc3)ccc2c1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The InChIKey is MMORZGWANDFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3S/c1-28-22-11-7-19-15-23(12-8-18(19)14-22)29(26,27)25-21-9-5-16(6-10-21)17-3-2-4-20(24)13-17/h2-15,25H,1H3.
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide has a molecular weight of 407.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 57399539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).