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

C11H15BrClNO3S — CID 43164414

IUPAC5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
SMILESCC(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO3S/c1-7(2)3-4-17-11-9(13)5-8(12)6-10(11)18(14,15)16/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyBJMUVQPLDFNLIN-UHFFFAOYSA-N
MW356.67 g/mol
LogP3.17
Rot. Bonds5

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

5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide (PubChem CID 43164414) has the molecular formula C11H15BrClNO3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
PubChem CID43164414
Molecular FormulaC11H15BrClNO3S
Molecular Weight356.67 g/mol
Exact Mass354.96
IUPAC Name5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
SMILESCC(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C11H15BrClNO3S/c1-7(2)3-4-17-11-9(13)5-8(12)6-10(11)18(14,15)16/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyBJMUVQPLDFNLIN-UHFFFAOYSA-N
XLogP3.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363
3,5-dichloro-4-(3-methylbutoxy)benzenesulfonyl chloride
CID 60800384
5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide (CID 43164414) is 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide is CC(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide?
The InChIKey is BJMUVQPLDFNLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO3S/c1-7(2)3-4-17-11-9(13)5-8(12)6-10(11)18(14,15)16/h5-7H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide has a molecular weight of 356.67 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide is sourced from PubChem (CID 43164414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).