3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide

C11H17ClN2O2S — CID 79580360

IUPAC3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17ClN2O2S/c1-9(7-12)8-17(15,16)14-10(2)11-5-3-4-6-13-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyDTBSGSLSENULBV-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.94
Rot. Bonds6

About 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide

3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide (PubChem CID 79580360) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
PubChem CID79580360
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17ClN2O2S/c1-9(7-12)8-17(15,16)14-10(2)11-5-3-4-6-13-11/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyDTBSGSLSENULBV-UHFFFAOYSA-N
XLogP1.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
3-chloro-2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858599
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
3-chloro-2-methyl-N-(3-methyl-1-phenylbutyl)propane-1-sulfonamide
CID 79586380
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide (CID 79580360) is 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide?
The InChIKey is DTBSGSLSENULBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-9(7-12)8-17(15,16)14-10(2)11-5-3-4-6-13-11/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide?
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 79580360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).