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

C23H20N2O3S — CID 57403048

IUPACN-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(N)c4)cc3)ccc2c1
InChIInChI=1S/C23H20N2O3S/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,24H2,1H3
InChIKeyQXPNQCMHUYGYIP-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.90
Rot. Bonds5

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

N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (PubChem CID 57403048) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
PubChem CID57403048
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(N)c4)cc3)ccc2c1
InChIInChI=1S/C23H20N2O3S/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,24H2,1H3
InChIKeyQXPNQCMHUYGYIP-UHFFFAOYSA-N
XLogP4.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 578894
N,N'-Naphthalene-1,4-Diylbis(4-Methoxybenzenesulfonamide)
CID 1073725
N-(4-methoxyphenyl)-1-naphthalenesulfonamide
CID 962545
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)vinyl]-2-naphthyl]methanesulfonamide
CID 6479596
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194809
N-(4-phenoxyphenyl)naphthalene-1-sulfonamide
CID 134137484
N-(4-phenoxyphenyl)naphthalene-2-sulfonamide
CID 603699
4-methoxy-N-(1-naphthyl)benzenesulfonamide
CID 899644
4-methoxy-2-naphthylamine p-toluenesulfonate salt
CID 21400205
Pcmd-CC-mcm-212
CID 16738585

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide (CID 57403048) is N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(-c4cccc(N)c4)cc3)ccc2c1.
What is the InChIKey of N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
The InChIKey is QXPNQCMHUYGYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/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,24H2,1H3.
What are the key properties of N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide?
N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide has a molecular weight of 404.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide is sourced from PubChem (CID 57403048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).