3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

C13H19Cl2NO3S — CID 103844855

IUPAC3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-17)8-16-20(18,19)12-6-10(14)5-11(15)7-12/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyYZBZGGZZCMHGLR-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.07
Rot. Bonds7

About 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide

3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide (PubChem CID 103844855) has the molecular formula C13H19Cl2NO3S and a molecular weight of 340.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
PubChem CID103844855
Molecular FormulaC13H19Cl2NO3S
Molecular Weight340.27 g/mol
Exact Mass339.05
IUPAC Name3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
SMILESCCC(CC)(CO)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-17)8-16-20(18,19)12-6-10(14)5-11(15)7-12/h5-7,16-17H,3-4,8-9H2,1-2H3
InChIKeyYZBZGGZZCMHGLR-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide 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

3,5-dichloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256201
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427533
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
1-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]methanesulfonamide
CID 106258700
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
2-[(3,5-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 79792778

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide (CID 103844855) is 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide is CCC(CC)(CO)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
The InChIKey is YZBZGGZZCMHGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S/c1-3-13(4-2,9-17)8-16-20(18,19)12-6-10(14)5-11(15)7-12/h5-7,16-17H,3-4,8-9H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide?
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide has a molecular weight of 340.27 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide is sourced from PubChem (CID 103844855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).