3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide

C14H18Cl3NO2S — CID 65032421

IUPAC3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCC(CCl)(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl3NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)11-2-3-12(16)13(17)8-11/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyJZLMLDZZMDZGFF-UHFFFAOYSA-N
MW370.73 g/mol
LogP4.46
Rot. Bonds4

About 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide

3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide (PubChem CID 65032421) has the molecular formula C14H18Cl3NO2S and a molecular weight of 370.73 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
PubChem CID65032421
Molecular FormulaC14H18Cl3NO2S
Molecular Weight370.73 g/mol
Exact Mass369.01
IUPAC Name3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCC(CCl)(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl3NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)11-2-3-12(16)13(17)8-11/h2-3,8,10,18H,4-7,9H2,1H3
InChIKeyJZLMLDZZMDZGFF-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide (CID 65032421) is 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide is CC1CCC(CCl)(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide?
The InChIKey is JZLMLDZZMDZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO2S/c1-10-4-6-14(9-15,7-5-10)18-21(19,20)11-2-3-12(16)13(17)8-11/h2-3,8,10,18H,4-7,9H2,1H3.
What are the key properties of 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide?
3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide has a molecular weight of 370.73 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 65032421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).