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

C11H15Cl2NO2S — CID 107629605

IUPAC3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CC(C)CCl)c1
InChIInChI=1S/C11H15Cl2NO2S/c1-8-3-4-10(13)11(5-8)14-17(15,16)7-9(2)6-12/h3-5,9,14H,6-7H2,1-2H3
InChIKeyOKDSBCAKMYMBFO-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.27
Rot. Bonds5

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

3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 107629605) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
PubChem CID107629605
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide
SMILESCc1ccc(Cl)c(NS(=O)(=O)CC(C)CCl)c1
InChIInChI=1S/C11H15Cl2NO2S/c1-8-3-4-10(13)11(5-8)14-17(15,16)7-9(2)6-12/h3-5,9,14H,6-7H2,1-2H3
InChIKeyOKDSBCAKMYMBFO-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.27
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

1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 113445957
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(2-chloro-5-methylphenyl)-1-cyanomethanesulfonamide
CID 107625962
N-(5-bromo-2-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585550
1-chloro-4-methyl-2-(sulfamoylamino)benzene
CID 107638348
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-hydroxy-2,4-dimethylphenyl)-2-methylpropane-1-sulfonamide
CID 79585941
3-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79583591
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
4-[(3-chloro-2-methylpropyl)sulfonylamino]-3-methylbenzoic acid
CID 79586212

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide (CID 107629605) is 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide is Cc1ccc(Cl)c(NS(=O)(=O)CC(C)CCl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is OKDSBCAKMYMBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-8-3-4-10(13)11(5-8)14-17(15,16)7-9(2)6-12/h3-5,9,14H,6-7H2,1-2H3.
What are the key properties of 3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(2-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 296.22 g/mol, XLogP of 3.27, 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-chloro-5-methylphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 107629605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).