N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide

C14H23ClN2O2S — CID 63400421

IUPACN-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23ClN2O2S/c1-3-14(4-2)17(11-9-15)20(18,19)12-8-13-7-5-6-10-16-13/h5-7,10,14H,3-4,8-9,11-12H2,1-2H3
InChIKeyFDHSRYWQYCOVBP-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.68
Rot. Bonds9

About N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide

N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide (PubChem CID 63400421) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
PubChem CID63400421
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
SMILESCCC(CC)N(CCCl)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H23ClN2O2S/c1-3-14(4-2)17(11-9-15)20(18,19)12-8-13-7-5-6-10-16-13/h5-7,10,14H,3-4,8-9,11-12H2,1-2H3
InChIKeyFDHSRYWQYCOVBP-UHFFFAOYSA-N
XLogP2.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-propan-2-yl-2-pyridin-2-ylethanesulfonamide
CID 80673058
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide (CID 63400421) is N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide is CCC(CC)N(CCCl)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is FDHSRYWQYCOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2S/c1-3-14(4-2)17(11-9-15)20(18,19)12-8-13-7-5-6-10-16-13/h5-7,10,14H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide?
N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 318.87 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 63400421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).