2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide

C11H16Cl2N2O2S — CID 43272464

IUPAC2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-4-7(2)15(3)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,4,14H2,1-3H3
InChIKeyZXSYKZREVCZEFI-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide

2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide (PubChem CID 43272464) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
PubChem CID43272464
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
SMILESCCC(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-4-7(2)15(3)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,4,14H2,1-3H3
InChIKeyZXSYKZREVCZEFI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(2-methylpropyl)benzenesulfonamide
CID 43271650
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
2-amino-4,6-dichloro-N-ethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934561
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587535
3-amino-4-bromo-N-butan-2-yl-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 103077254
2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43255890
2-amino-N-butan-2-yl-N-methylbenzenesulfonamide
CID 43272487
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-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide (CID 43272464) is 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide is CCC(C)N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide?
The InChIKey is ZXSYKZREVCZEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-4-7(2)15(3)18(16,17)11-9(13)5-8(12)6-10(11)14/h5-7H,4,14H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide?
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43272464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).