5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide

C11H15BrClNO5S2 — CID 106726837

IUPAC5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
SMILESCCCS(=O)(=O)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO5S2/c1-2-4-20(15,16)5-3-19-11-9(13)6-8(12)7-10(11)21(14,17)18/h6-7H,2-5H2,1H3,(H2,14,17,18)
InChIKeyUGIIIGFHGOBAGE-UHFFFAOYSA-N
MW420.73 g/mol
LogP1.95
Rot. Bonds7

About 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide

5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide (PubChem CID 106726837) has the molecular formula C11H15BrClNO5S2 and a molecular weight of 420.73 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
PubChem CID106726837
Molecular FormulaC11H15BrClNO5S2
Molecular Weight420.73 g/mol
Exact Mass418.93
IUPAC Name5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
SMILESCCCS(=O)(=O)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO5S2/c1-2-4-20(15,16)5-3-19-11-9(13)6-8(12)7-10(11)21(14,17)18/h6-7H,2-5H2,1H3,(H2,14,17,18)
InChIKeyUGIIIGFHGOBAGE-UHFFFAOYSA-N
XLogP1.95
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.73
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
1,3-dibromo-5-(chloromethyl)-2-(2-propylsulfonylethoxy)benzene
CID 107745574
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide (CID 106726837) is 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide is CCCS(=O)(=O)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide?
The InChIKey is UGIIIGFHGOBAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO5S2/c1-2-4-20(15,16)5-3-19-11-9(13)6-8(12)7-10(11)21(14,17)18/h6-7H,2-5H2,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide has a molecular weight of 420.73 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide is sourced from PubChem (CID 106726837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).