4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide

C12H11BrN2O4S2 — CID 1129664

IUPAC4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChIKeyNLJFWGABSSGIJO-UHFFFAOYSA-N
MW391.27 g/mol
LogP1.90
Rot. Bonds4

About 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide

4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 1129664) has the molecular formula C12H11BrN2O4S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
PubChem CID1129664
Molecular FormulaC12H11BrN2O4S2
Molecular Weight391.27 g/mol
Exact Mass389.93
IUPAC Name4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
InChIKeyNLJFWGABSSGIJO-UHFFFAOYSA-N
XLogP1.90
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide (CID 1129664) is 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is NLJFWGABSSGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide?
4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 391.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 1129664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).