N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide

C11H15BrN2O4S2 — CID 62084935

IUPACN-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6,13H2
InChIKeyZOBMXOQSBMMBAX-UHFFFAOYSA-N
MW383.29 g/mol
LogP1.35
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide

N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62084935) has the molecular formula C11H15BrN2O4S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62084935
Molecular FormulaC11H15BrN2O4S2
Molecular Weight383.29 g/mol
Exact Mass381.97
IUPAC NameN-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6,13H2
InChIKeyZOBMXOQSBMMBAX-UHFFFAOYSA-N
XLogP1.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide (CID 62084935) is N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide is Nc1ccc(NS(=O)(=O)C2CCS(=O)(=O)CC2)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is ZOBMXOQSBMMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S2/c12-10-7-8(13)1-2-11(10)14-20(17,18)9-3-5-19(15,16)6-4-9/h1-2,7,9,14H,3-6,13H2.
What are the key properties of N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide?
N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 383.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62084935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).