5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

C12H19ClN2O4S — CID 64606185

IUPAC5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O4S/c1-9(2)3-5-19-6-4-15-20(17,18)10-7-11(13)12(16)14-8-10/h7-9,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyJYYZWBSWBIEPLA-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.37
Rot. Bonds8

About 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606185) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606185
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(C)CCOCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O4S/c1-9(2)3-5-19-6-4-15-20(17,18)10-7-11(13)12(16)14-8-10/h7-9,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyJYYZWBSWBIEPLA-UHFFFAOYSA-N
XLogP1.37
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
CID 64607150
5-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 105920444
5-methyl-6-oxo-N-(2-propoxyethyl)-1H-pyridine-3-sulfonamide
CID 163871884
N-(2-ethoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629477
N-(2-butoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61176073
N-[3-(2-methylpropoxy)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249299
N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61895361
5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605730
5-chloro-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide
CID 64606174
5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64606194
5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606328
5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606387

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 64606185) is 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is CC(C)CCOCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is JYYZWBSWBIEPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-9(2)3-5-19-6-4-15-20(17,18)10-7-11(13)12(16)14-8-10/h7-9,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 322.81 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).