5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C10H15ClN2O4S — CID 113450761

IUPAC5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-10(2,17-3)6-13-18(15,16)7-4-8(11)9(14)12-5-7/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKeyOTLHHWPWBYQSQR-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.73
Rot. Bonds5

About 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 113450761) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID113450761
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-10(2,17-3)6-13-18(15,16)7-4-8(11)9(14)12-5-7/h4-5,13H,6H2,1-3H3,(H,12,14)
InChIKeyOTLHHWPWBYQSQR-UHFFFAOYSA-N
XLogP0.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605730
5-chloro-N-(2-hydroxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606158
5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
CID 64606164
5-chloro-6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-3-sulfonamide
CID 64606174
5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64606185
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-(1-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606389
5-chloro-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606519
5-chloro-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64606522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 113450761) is 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is COC(C)(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is OTLHHWPWBYQSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-10(2,17-3)6-13-18(15,16)7-4-8(11)9(14)12-5-7/h4-5,13H,6H2,1-3H3,(H,12,14).
What are the key properties of 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.76 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 113450761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).