2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide

C13H17Cl2NO2S — CID 65032608

IUPAC2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-10-13(8-4-1-5-9-13)16-19(17,18)12-7-3-2-6-11(12)15/h2-3,6-7,16H,1,4-5,8-10H2
InChIKeyANMOSPOWLJPEFO-UHFFFAOYSA-N
MW322.26 g/mol
LogP3.56
Rot. Bonds4

About 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide

2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide (PubChem CID 65032608) has the molecular formula C13H17Cl2NO2S and a molecular weight of 322.26 g/mol. Its IUPAC name is 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
PubChem CID65032608
Molecular FormulaC13H17Cl2NO2S
Molecular Weight322.26 g/mol
Exact Mass321.04
IUPAC Name2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(CCl)CCCCC1)c1ccccc1Cl
InChIInChI=1S/C13H17Cl2NO2S/c14-10-13(8-4-1-5-9-13)16-19(17,18)12-7-3-2-6-11(12)15/h2-3,6-7,16H,1,4-5,8-10H2
InChIKeyANMOSPOWLJPEFO-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 53.56
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

2-bromo-N-[1-(chloromethyl)cyclopentyl]benzenesulfonamide
CID 65030927
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 62520137
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104710572
N-[1-(aminomethyl)cyclopentyl]-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119980929
4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518209
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 65031136
N-[1-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide
CID 28971038
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
1-(chloromethyl)-N-[(2,6-dichlorophenyl)methyl]cyclopentan-1-amine
CID 65025996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide (CID 65032608) is 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(CCl)CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide?
The InChIKey is ANMOSPOWLJPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S/c14-10-13(8-4-1-5-9-13)16-19(17,18)12-7-3-2-6-11(12)15/h2-3,6-7,16H,1,4-5,8-10H2.
What are the key properties of 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide?
2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide has a molecular weight of 322.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(chloromethyl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 65032608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).