N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide

C18H17N3O4S — CID 3035714

IUPACN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
InChIKeyURCVCIZFVQDVPM-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 3035714) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID3035714
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
InChIKeyURCVCIZFVQDVPM-UHFFFAOYSA-N
XLogP3.34
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 3035714) is N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is URCVCIZFVQDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20).
What are the key properties of N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 371.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3035714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).