3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide

C11H14Cl3NO2S — CID 113445957

IUPAC3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CC(C)CCl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2S/c1-7(5-12)6-18(16,17)15-11-4-9(13)8(2)3-10(11)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyLBNYQMUBDUPQFW-UHFFFAOYSA-N
MW330.66 g/mol
LogP3.92
Rot. Bonds5

About 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 113445957) has the molecular formula C11H14Cl3NO2S and a molecular weight of 330.66 g/mol. Its IUPAC name is 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
PubChem CID113445957
Molecular FormulaC11H14Cl3NO2S
Molecular Weight330.66 g/mol
Exact Mass328.98
IUPAC Name3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CC(C)CCl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2S/c1-7(5-12)6-18(16,17)15-11-4-9(13)8(2)3-10(11)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyLBNYQMUBDUPQFW-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 53.92
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

N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
CID 107629605
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
3-chloro-2-methyl-N-(2-propan-2-ylphenyl)propane-1-sulfonamide
CID 79580372
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
4-[(3-chloro-2-methylpropyl)sulfonylamino]-N-ethyl-3-methylbenzamide
CID 79557547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide (CID 113445957) is 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)CC(C)CCl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is LBNYQMUBDUPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO2S/c1-7(5-12)6-18(16,17)15-11-4-9(13)8(2)3-10(11)14/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 330.66 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 113445957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).