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

C12H18Cl2N2O2S — CID 63982210

IUPAC2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-5-12(2,3)16(4)19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7H,5,15H2,1-4H3
InChIKeyZRNCMQMOZSVMJP-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.38
Rot. Bonds4

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

2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 63982210) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID63982210
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-5-12(2,3)16(4)19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7H,5,15H2,1-4H3
InChIKeyZRNCMQMOZSVMJP-UHFFFAOYSA-N
XLogP3.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.38
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-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
2-amino-4,6-dichloro-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327833
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587535
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
5-chloro-2-fluoro-3-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983886
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
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
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 63982210) is 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is ZRNCMQMOZSVMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-5-12(2,3)16(4)19(17,18)11-9(14)6-8(13)7-10(11)15/h6-7H,5,15H2,1-4H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 325.26 g/mol, XLogP of 3.38, 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-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63982210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).