5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide

C12H12ClN3O3S — CID 103287831

IUPAC5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H12ClN3O3S/c1-15-20(17,18)12-5-9(14)2-3-11(12)19-10-4-8(13)6-16-7-10/h2-7,15H,14H2,1H3
InChIKeyDXMKDEXXEXXZRZ-UHFFFAOYSA-N
MW313.77 g/mol
LogP2.02
Rot. Bonds4

About 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide

5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide (PubChem CID 103287831) has the molecular formula C12H12ClN3O3S and a molecular weight of 313.77 g/mol. Its IUPAC name is 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
PubChem CID103287831
Molecular FormulaC12H12ClN3O3S
Molecular Weight313.77 g/mol
Exact Mass313.03
IUPAC Name5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H12ClN3O3S/c1-15-20(17,18)12-5-9(14)2-3-11(12)19-10-4-8(13)6-16-7-10/h2-7,15H,14H2,1H3
InChIKeyDXMKDEXXEXXZRZ-UHFFFAOYSA-N
XLogP2.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 103287763
2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
CID 64602701
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
CID 21357756
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
CID 114844935
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide (CID 103287831) is 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide?
The InChIKey is DXMKDEXXEXXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S/c1-15-20(17,18)12-5-9(14)2-3-11(12)19-10-4-8(13)6-16-7-10/h2-7,15H,14H2,1H3.
What are the key properties of 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide?
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide has a molecular weight of 313.77 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).