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

C11H16Cl2N2O2S — CID 43255609

IUPAC2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4,14H2,1-3H3
InChIKeyFPLMWFSULAYESI-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.04
Rot. Bonds4

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

2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 43255609) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID43255609
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4,14H2,1-3H3
InChIKeyFPLMWFSULAYESI-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 43255609) is 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is FPLMWFSULAYESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-4-11(2,3)15-18(16,17)10-8(13)5-7(12)6-9(10)14/h5-6,15H,4,14H2,1-3H3.
What are the key properties of 2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 3.04, 4 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-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43255609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).