2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

C14H18Cl3NO2S — CID 107402761

IUPAC2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO2S/c1-2-18(9-10-4-3-5-10)21(19,20)14-6-11(8-15)12(16)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyXQYGHTAKFPVSCV-UHFFFAOYSA-N
MW370.73 g/mol
LogP4.54
Rot. Bonds6

About 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 107402761) has the molecular formula C14H18Cl3NO2S and a molecular weight of 370.73 g/mol. Its IUPAC name is 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
PubChem CID107402761
Molecular FormulaC14H18Cl3NO2S
Molecular Weight370.73 g/mol
Exact Mass369.01
IUPAC Name2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl
InChIInChI=1S/C14H18Cl3NO2S/c1-2-18(9-10-4-3-5-10)21(19,20)14-6-11(8-15)12(16)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3
InChIKeyXQYGHTAKFPVSCV-UHFFFAOYSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.73
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107402760
3-amino-5-chloro-N-(cyclobutylmethyl)-N-ethyl-2-methylbenzenesulfonamide
CID 107396992
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
N-(cyclobutylmethyl)-N-ethyl-2-(hydroxymethyl)benzenesulfonamide
CID 107402685
2-chloro-N-ethyl-4-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79701650
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
2-bromo-5-(chloromethyl)-N-(cyclopropylmethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 114363633
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
2,4-dichloro-5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988222
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (CID 107402761) is 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cc(CCl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is XQYGHTAKFPVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl3NO2S/c1-2-18(9-10-4-3-5-10)21(19,20)14-6-11(8-15)12(16)7-13(14)17/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 370.73 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 107402761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).