N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide

C11H17ClN2O3S — CID 65030639

IUPACN-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H17ClN2O3S/c1-17-9-10(12)8-14-18(15,16)7-5-11-4-2-3-6-13-11/h2-4,6,10,14H,5,7-9H2,1H3
InChIKeyAJDWWYCUEFQCSG-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.80
Rot. Bonds8

About N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide

N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 65030639) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID65030639
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
SMILESCOCC(Cl)CNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C11H17ClN2O3S/c1-17-9-10(12)8-14-18(15,16)7-5-11-4-2-3-6-13-11/h2-4,6,10,14H,5,7-9H2,1H3
InChIKeyAJDWWYCUEFQCSG-UHFFFAOYSA-N
XLogP0.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
3-methyl-2-[(2-pyridin-2-ylethylsulfonylamino)methyl]butanoic acid
CID 65220958
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide (CID 65030639) is N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide is COCC(Cl)CNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is AJDWWYCUEFQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-17-9-10(12)8-14-18(15,16)7-5-11-4-2-3-6-13-11/h2-4,6,10,14H,5,7-9H2,1H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 0.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 65030639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).