5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide

C16H17Cl2N3O4S — CID 158625152

IUPAC5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(17)5-9(19)6-13(15)18/h5-8,10,21H,2-4,19H2,1H3
InChIKeyHFADVUHCMFBAGF-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.60
Rot. Bonds6

About 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide

5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide (PubChem CID 158625152) has the molecular formula C16H17Cl2N3O4S and a molecular weight of 418.30 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
PubChem CID158625152
Molecular FormulaC16H17Cl2N3O4S
Molecular Weight418.30 g/mol
Exact Mass417.03
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(17)5-9(19)6-13(15)18/h5-8,10,21H,2-4,19H2,1H3
InChIKeyHFADVUHCMFBAGF-UHFFFAOYSA-N
XLogP3.60
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide (CID 158625152) is 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide is COc1ncc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
The InChIKey is HFADVUHCMFBAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(17)5-9(19)6-13(15)18/h5-8,10,21H,2-4,19H2,1H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide has a molecular weight of 418.30 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 158625152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).