5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide

C11H17ClN2O3S — CID 97242229

IUPAC5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide
SMILESCOC[C@@H](C)CN(C)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-9(8-17-3)7-14(2)18(15,16)11-4-10(12)5-13-6-11/h4-6,9H,7-8H2,1-3H3/t9-/m0/s1
InChIKeyOUPIKTAUALIBCT-VIFPVBQESA-N
MW292.79 g/mol
LogP1.64
Rot. Bonds6

About 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide

5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide (PubChem CID 97242229) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide
PubChem CID97242229
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide
SMILESCOC[C@@H](C)CN(C)S(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c1-9(8-17-3)7-14(2)18(15,16)11-4-10(12)5-13-6-11/h4-6,9H,7-8H2,1-3H3/t9-/m0/s1
InChIKeyOUPIKTAUALIBCT-VIFPVBQESA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide (CID 97242229) is 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide is COC[C@@H](C)CN(C)S(=O)(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is OUPIKTAUALIBCT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-9(8-17-3)7-14(2)18(15,16)11-4-10(12)5-13-6-11/h4-6,9H,7-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide?
5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-3-methoxy-2-methylpropyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 97242229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).