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

C32H32BrCl4N5O8S2 — CID 161196012

IUPAC5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1CCC1.COc1ncc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C16H15BrCl2N2O4S.C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(18)5-9(17)6-13(15)19;1-24-16-14(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,2-4H2,1H3;5-8,10,21H,2-4,19H2,1H3
InChIKeyUUISJZQOGXKYAE-UHFFFAOYSA-N
MW900.48 g/mol
LogP8.38
Rot. Bonds12

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

5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide (PubChem CID 161196012) has the molecular formula C32H32BrCl4N5O8S2 and a molecular weight of 900.48 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
PubChem CID161196012
Molecular FormulaC32H32BrCl4N5O8S2
Molecular Weight900.48 g/mol
Exact Mass896.96
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1CCC1.COc1ncc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C16H15BrCl2N2O4S.C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(18)5-9(17)6-13(15)19;1-24-16-14(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,2-4H2,1H3;5-8,10,21H,2-4,19H2,1H3
InChIKeyUUISJZQOGXKYAE-UHFFFAOYSA-N
XLogP8.38
TPSA181.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.48
LogP ≤ 58.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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;5-(4-bromo-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;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide (CID 161196012) is 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-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;5-(4-bromo-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;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide is COc1ncc(Oc2c(Cl)cc(Br)cc2Cl)cc1S(=O)(=O)NC1CCC1.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;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
The InChIKey is UUISJZQOGXKYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O4S.C16H17Cl2N3O4S/c1-24-16-14(26(22,23)21-10-3-2-4-10)7-11(8-20-16)25-15-12(18)5-9(17)6-13(15)19;1-24-16-14(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,2-4H2,1H3;5-8,10,21H,2-4,19H2,1H3.
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide?
5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide has a molecular weight of 900.48 g/mol, XLogP of 8.38, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 161196012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).