5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide

C11H19N3O5S2 — CID 126833413

IUPAC5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide
SMILESCOC(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)nc1)C(C)C
InChIInChI=1S/C11H19N3O5S2/c1-8(2)10(19-3)7-20(15,16)14-9-4-5-11(13-6-9)21(12,17)18/h4-6,8,10,14H,7H2,1-3H3,(H2,12,17,18)
InChIKeyPVLXALSWVJXEMQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.14
Rot. Bonds7

About 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide

5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide (PubChem CID 126833413) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide
PubChem CID126833413
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC Name5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide
SMILESCOC(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)nc1)C(C)C
InChIInChI=1S/C11H19N3O5S2/c1-8(2)10(19-3)7-20(15,16)14-9-4-5-11(13-6-9)21(12,17)18/h4-6,8,10,14H,7H2,1-3H3,(H2,12,17,18)
InChIKeyPVLXALSWVJXEMQ-UHFFFAOYSA-N
XLogP0.14
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide?
The IUPAC name of 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide (CID 126833413) is 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide?
The canonical SMILES for 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide is COC(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)nc1)C(C)C.
What is the InChIKey of 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide?
The InChIKey is PVLXALSWVJXEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-8(2)10(19-3)7-20(15,16)14-9-4-5-11(13-6-9)21(12,17)18/h4-6,8,10,14H,7H2,1-3H3,(H2,12,17,18).
What are the key properties of 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide?
5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-3-methylbutyl)sulfonylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 126833413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).