3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide

C11H16Cl2N2O2S — CID 113469315

IUPAC3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-7(2)6-15-18(16,17)9-5-4-8(12)11(14)10(9)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyMTLCODKJEZXTTK-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.90
Rot. Bonds5

About 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide

3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 113469315) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
PubChem CID113469315
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-7(2)6-15-18(16,17)9-5-4-8(12)11(14)10(9)13/h4-5,7,15H,3,6,14H2,1-2H3
InChIKeyMTLCODKJEZXTTK-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
6-amino-5-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64601703
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
4-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63980942
3-amino-2,4-dichloro-N-pent-4-enylbenzenesulfonamide
CID 114264574
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide (CID 113469315) is 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1ccc(Cl)c(N)c1Cl.
What is the InChIKey of 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is MTLCODKJEZXTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-3-7(2)6-15-18(16,17)9-5-4-8(12)11(14)10(9)13/h4-5,7,15H,3,6,14H2,1-2H3.
What are the key properties of 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide?
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 113469315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).