4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide

C11H13BrCl2N2O4S2 — CID 34116593

IUPAC4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C11H13BrCl2N2O4S2/c12-7-5-9(13)11(10(14)6-7)22(19,20)15-3-4-21(17,18)16-8-1-2-8/h5-6,8,15-16H,1-4H2
InChIKeyLIFGJIIEBOLQDK-UHFFFAOYSA-N
MW452.18 g/mol
LogP2.12
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 34116593) has the molecular formula C11H13BrCl2N2O4S2 and a molecular weight of 452.18 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID34116593
Molecular FormulaC11H13BrCl2N2O4S2
Molecular Weight452.18 g/mol
Exact Mass449.89
IUPAC Name4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C11H13BrCl2N2O4S2/c12-7-5-9(13)11(10(14)6-7)22(19,20)15-3-4-21(17,18)16-8-1-2-8/h5-6,8,15-16H,1-4H2
InChIKeyLIFGJIIEBOLQDK-UHFFFAOYSA-N
XLogP2.12
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide (CID 34116593) is 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide is O=S(=O)(CCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)NC1CC1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is LIFGJIIEBOLQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O4S2/c12-7-5-9(13)11(10(14)6-7)22(19,20)15-3-4-21(17,18)16-8-1-2-8/h5-6,8,15-16H,1-4H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 452.18 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(cyclopropylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 34116593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).