6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide

C10H16ClN3O4S — CID 64600507

IUPAC6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O4S/c1-17-4-5-18-3-2-14-19(15,16)8-6-9(11)10(12)13-7-8/h6-7,14H,2-5H2,1H3,(H2,12,13)
InChIKeyKHCIZJVLRRWZST-UHFFFAOYSA-N
MW309.78 g/mol
LogP0.26
Rot. Bonds8

About 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 64600507) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide
PubChem CID64600507
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC Name6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H16ClN3O4S/c1-17-4-5-18-3-2-14-19(15,16)8-6-9(11)10(12)13-7-8/h6-7,14H,2-5H2,1H3,(H2,12,13)
InChIKeyKHCIZJVLRRWZST-UHFFFAOYSA-N
XLogP0.26
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide (CID 64600507) is 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide is COCCOCCNS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is KHCIZJVLRRWZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S/c1-17-4-5-18-3-2-14-19(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-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 309.78 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64600507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).