2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide

C12H17Cl2NO4S — CID 5165118

IUPAC2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-7-5-11(10(14)6-9(7)13)20(16,17)15-8(2)12(18-3)19-4/h5-6,8,12,15H,1-4H3
InChIKeyCEZFDSZSKNTETP-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.59
Rot. Bonds6

About 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide (PubChem CID 5165118) has the molecular formula C12H17Cl2NO4S and a molecular weight of 342.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide
PubChem CID5165118
Molecular FormulaC12H17Cl2NO4S
Molecular Weight342.24 g/mol
Exact Mass341.03
IUPAC Name2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2NO4S/c1-7-5-11(10(14)6-9(7)13)20(16,17)15-8(2)12(18-3)19-4/h5-6,8,12,15H,1-4H3
InChIKeyCEZFDSZSKNTETP-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide (CID 5165118) is 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide is COC(OC)C(C)NS(=O)(=O)c1cc(C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide?
The InChIKey is CEZFDSZSKNTETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO4S/c1-7-5-11(10(14)6-9(7)13)20(16,17)15-8(2)12(18-3)19-4/h5-6,8,12,15H,1-4H3.
What are the key properties of 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide has a molecular weight of 342.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,1-dimethoxypropan-2-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 5165118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).