4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

C13H12BrClN2O4S2 — CID 25335375

IUPAC4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C13H12BrClN2O4S2/c14-10-3-6-13(12(15)7-10)23(20,21)17-11-4-1-9(2-5-11)8-22(16,18)19/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyMQDUECUFOWTTSE-UHFFFAOYSA-N
MW439.74 g/mol
LogP2.69
Rot. Bonds5

About 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (PubChem CID 25335375) has the molecular formula C13H12BrClN2O4S2 and a molecular weight of 439.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
PubChem CID25335375
Molecular FormulaC13H12BrClN2O4S2
Molecular Weight439.74 g/mol
Exact Mass437.91
IUPAC Name4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C13H12BrClN2O4S2/c14-10-3-6-13(12(15)7-10)23(20,21)17-11-4-1-9(2-5-11)8-22(16,18)19/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyMQDUECUFOWTTSE-UHFFFAOYSA-N
XLogP2.69
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (CID 25335375) is 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The InChIKey is MQDUECUFOWTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O4S2/c14-10-3-6-13(12(15)7-10)23(20,21)17-11-4-1-9(2-5-11)8-22(16,18)19/h1-7,17H,8H2,(H2,16,18,19).
What are the key properties of 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide has a molecular weight of 439.74 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25335375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).