6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide

C10H16ClN3O3S — CID 64600894

IUPAC6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O3S/c1-17-5-3-2-4-14-18(15,16)8-6-9(11)10(12)13-7-8/h6-7,14H,2-5H2,1H3,(H2,12,13)
InChIKeyMAWVSUMSPQSQME-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.02
Rot. Bonds7

About 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide (PubChem CID 64600894) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide
PubChem CID64600894
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O3S/c1-17-5-3-2-4-14-18(15,16)8-6-9(11)10(12)13-7-8/h6-7,14H,2-5H2,1H3,(H2,12,13)
InChIKeyMAWVSUMSPQSQME-UHFFFAOYSA-N
XLogP1.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide (CID 64600894) is 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide is COCCCCNS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide?
The InChIKey is MAWVSUMSPQSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-17-5-3-2-4-14-18(15,16)8-6-9(11)10(12)13-7-8/h6-7,14H,2-5H2,1H3,(H2,12,13).
What are the key properties of 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide has a molecular weight of 293.78 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(4-methoxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).