N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide

C23H18N2O3S — CID 164621231

IUPACN-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2O3S/c26-23(19-11-10-17-6-4-5-7-18(17)16-19)24-20-12-14-22(15-13-20)29(27,28)25-21-8-2-1-3-9-21/h1-16,25H,(H,24,26)
InChIKeyJKGBGHHHADBGHV-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.89
Rot. Bonds5

About N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide

N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide (PubChem CID 164621231) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide
PubChem CID164621231
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C23H18N2O3S/c26-23(19-11-10-17-6-4-5-7-18(17)16-19)24-20-12-14-22(15-13-20)29(27,28)25-21-8-2-1-3-9-21/h1-16,25H,(H,24,26)
InChIKeyJKGBGHHHADBGHV-UHFFFAOYSA-N
XLogP4.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide (CID 164621231) is N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is JKGBGHHHADBGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-23(19-11-10-17-6-4-5-7-18(17)16-19)24-20-12-14-22(15-13-20)29(27,28)25-21-8-2-1-3-9-21/h1-16,25H,(H,24,26).
What are the key properties of N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide?
N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylsulfamoyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 164621231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).