2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H16Cl2N2O2S — CID 43271650

IUPAC2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-7(2)6-15(3)18(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7H,6,14H2,1-3H3
InChIKeyUAJXRPLMFDNKNA-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43271650) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43271650
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-7(2)6-15(3)18(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7H,6,14H2,1-3H3
InChIKeyUAJXRPLMFDNKNA-UHFFFAOYSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
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-(3-methylbutyl)benzenesulfonamide
CID 61114749
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2,6-dichloro-4-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 60845655
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43255890
2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 63402311
3-[(4-amino-2,6-dichlorophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106914100

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43271650) is 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is UAJXRPLMFDNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-7(2)6-15(3)18(16,17)11-9(13)4-8(12)5-10(11)14/h4-5,7H,6,14H2,1-3H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43271650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).