2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide

C12H18Cl2N2O2S — CID 106327833

IUPAC2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-4-12(3,5-2)16-19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5,15H2,1-3H3
InChIKeyQVMHNSVFTMKCEM-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.43
Rot. Bonds5

About 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide

2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106327833) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106327833
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-4-12(3,5-2)16-19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5,15H2,1-3H3
InChIKeyQVMHNSVFTMKCEM-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.43
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-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
2-amino-4,6-dichloro-N-prop-2-ynylbenzenesulfonamide
CID 61111383
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,6-trichlorobenzenesulfonamide
CID 115310018
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 43255854
3-amino-2-bromo-5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165383
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
2-amino-4,5-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327922
2-amino-4,6-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617270
2-amino-3,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327896
2-amino-4,6-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248033

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide (CID 106327833) is 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is QVMHNSVFTMKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-4-12(3,5-2)16-19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5,15H2,1-3H3.
What are the key properties of 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106327833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).