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

C18H17N3O4S — CID 52944610

IUPACN-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-18-17(3-2-12-19-18)20-13-4-6-14(22)7-5-13/h2-12,20,22H,1H3,(H,19,21)
InChIKeyXXRQGDCIUODIMK-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.34
Rot. Bonds6

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

N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 52944610) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID52944610
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ncccc2Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-18-17(3-2-12-19-18)20-13-4-6-14(22)7-5-13/h2-12,20,22H,1H3,(H,19,21)
InChIKeyXXRQGDCIUODIMK-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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Related Compounds

N-(2-((4-hydroxyphenyl)amino)-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 3035714
N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide;hydrochloride
CID 11983308
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
4-[[1-(4-Methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-yl]amino]phenol
CID 50940066
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
4-Methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 771985
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
CID 1281364
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 3639258
4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 45113143

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide (CID 52944610) is N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ncccc2Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is XXRQGDCIUODIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-18-17(3-2-12-19-18)20-13-4-6-14(22)7-5-13/h2-12,20,22H,1H3,(H,19,21).
What are the key properties of N-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide?
N-[3-(4-hydroxyanilino)-2-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-[3-(4-hydroxyanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 52944610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).