N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide

C24H19FN2O4S — CID 2102937

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4S/c1-31-23-13-10-20(15-22(23)27-32(29,30)21-11-8-19(25)9-12-21)26-24(28)18-7-6-16-4-2-3-5-17(16)14-18/h2-15,27H,1H3,(H,26,28)
InChIKeySXONJABGRIKQMD-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.04
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide (PubChem CID 2102937) has the molecular formula C24H19FN2O4S and a molecular weight of 450.49 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide
PubChem CID2102937
Molecular FormulaC24H19FN2O4S
Molecular Weight450.49 g/mol
Exact Mass450.10
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4S/c1-31-23-13-10-20(15-22(23)27-32(29,30)21-11-8-19(25)9-12-21)26-24(28)18-7-6-16-4-2-3-5-17(16)14-18/h2-15,27H,1H3,(H,26,28)
InChIKeySXONJABGRIKQMD-UHFFFAOYSA-N
XLogP5.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide (CID 2102937) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide is COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide?
The InChIKey is SXONJABGRIKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4S/c1-31-23-13-10-20(15-22(23)27-32(29,30)21-11-8-19(25)9-12-21)26-24(28)18-7-6-16-4-2-3-5-17(16)14-18/h2-15,27H,1H3,(H,26,28).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2102937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).