N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide

C13H18ClNO2S — CID 114179811

IUPACN-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C13H18ClNO2S/c14-10-11-6-4-5-9-13(11)15-18(16,17)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2
InChIKeyQNMGAKOOINHIDK-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide

N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 114179811) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
PubChem CID114179811
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC NameN-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1CCl)c1ccccc1
InChIInChI=1S/C13H18ClNO2S/c14-10-11-6-4-5-9-13(11)15-18(16,17)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2
InChIKeyQNMGAKOOINHIDK-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
[2-(chloromethyl)cyclohexyl]sulfonylbenzene
CID 67997252
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
CID 4243978
N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
CID 119986497
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-(2-chloroethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858722
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
CID 161417428
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 114179771
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide (CID 114179811) is N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1CCl)c1ccccc1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is QNMGAKOOINHIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-10-11-6-4-5-9-13(11)15-18(16,17)12-7-2-1-3-8-12/h1-3,7-8,11,13,15H,4-6,9-10H2.
What are the key properties of N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide?
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 287.81 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 114179811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).