2,6-bis(chloromethyl)benzenesulfonamide

C8H9Cl2NO2S — CID 91382266

IUPAC2,6-bis(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCl)cccc1CCl
InChIInChI=1S/C8H9Cl2NO2S/c9-4-6-2-1-3-7(5-10)8(6)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13)
InChIKeyIMBJWKDQQRVWNN-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.81
Rot. Bonds3

About 2,6-bis(chloromethyl)benzenesulfonamide

2,6-bis(chloromethyl)benzenesulfonamide (PubChem CID 91382266) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,6-bis(chloromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-bis(chloromethyl)benzenesulfonamide
PubChem CID91382266
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,6-bis(chloromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCl)cccc1CCl
InChIInChI=1S/C8H9Cl2NO2S/c9-4-6-2-1-3-7(5-10)8(6)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13)
InChIKeyIMBJWKDQQRVWNN-UHFFFAOYSA-N
XLogP1.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.81
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-amino-3-(chloromethyl)benzenesulfonamide
CID 21483537
2,6-bis(chloromethyl)aniline
CID 23281525
2-(bromomethyl)-6-phenylbenzenesulfonamide
CID 19783178
2-(chloromethyl)-6-ethylaniline;hydrochloride
CID 13350301
3-(chloromethyl)-2-propan-2-ylphenol
CID 21319613
1-(chloromethyl)-2-ethylbenzene
CID 524243
[2-(chloromethyl)-6-ethylphenyl]hydrazine
CID 131028347
2-chloro-6-(2-chlorophenyl)benzenesulfonamide
CID 13116834
2-chloro-6-(1,2,4-triazol-1-ylmethyl)benzenesulfonamide
CID 22151116
2-(2-chloro-3-sulfamoylphenyl)acetamide
CID 169224386
3-butyl-2-sulfamoylbenzamide
CID 122670193
3-(chloromethyl)-2-(2-hydroxyphenyl)phenol
CID 139509333

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(chloromethyl)benzenesulfonamide?
The IUPAC name of 2,6-bis(chloromethyl)benzenesulfonamide (CID 91382266) is 2,6-bis(chloromethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-bis(chloromethyl)benzenesulfonamide?
The canonical SMILES for 2,6-bis(chloromethyl)benzenesulfonamide is NS(=O)(=O)c1c(CCl)cccc1CCl.
What is the InChIKey of 2,6-bis(chloromethyl)benzenesulfonamide?
The InChIKey is IMBJWKDQQRVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c9-4-6-2-1-3-7(5-10)8(6)14(11,12)13/h1-3H,4-5H2,(H2,11,12,13).
What are the key properties of 2,6-bis(chloromethyl)benzenesulfonamide?
2,6-bis(chloromethyl)benzenesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(chloromethyl)benzenesulfonamide is sourced from PubChem (CID 91382266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).