N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide

C14H21ClN2O2S — CID 106367830

IUPACN-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCCC1CCl
InChIInChI=1S/C14H21ClN2O2S/c15-11-12-5-1-2-7-14(12)17-20(18,19)10-8-13-6-3-4-9-16-13/h3-4,6,9,12,14,17H,1-2,5,7-8,10-11H2
InChIKeyHOGQIRWKOHAVHE-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.34
Rot. Bonds6

About N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide

N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 106367830) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID106367830
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCCC1CCl
InChIInChI=1S/C14H21ClN2O2S/c15-11-12-5-1-2-7-14(12)17-20(18,19)10-8-13-6-3-4-9-16-13/h3-4,6,9,12,14,17H,1-2,5,7-8,10-11H2
InChIKeyHOGQIRWKOHAVHE-UHFFFAOYSA-N
XLogP2.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.34
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-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114289788

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide (CID 106367830) is N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is HOGQIRWKOHAVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-11-12-5-1-2-7-14(12)17-20(18,19)10-8-13-6-3-4-9-16-13/h3-4,6,9,12,14,17H,1-2,5,7-8,10-11H2.
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 106367830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).