5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide

C12H17BrClNO3S — CID 61481199

IUPAC5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
SMILESCC(C)(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrClNO3S/c1-12(2,3)4-5-18-11-9(14)6-8(13)7-10(11)19(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyMSKMDWQFTQVQNN-UHFFFAOYSA-N
MW370.70 g/mol
LogP3.56
Rot. Bonds4

About 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide

5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide (PubChem CID 61481199) has the molecular formula C12H17BrClNO3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
PubChem CID61481199
Molecular FormulaC12H17BrClNO3S
Molecular Weight370.70 g/mol
Exact Mass368.98
IUPAC Name5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
SMILESCC(C)(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrClNO3S/c1-12(2,3)4-5-18-11-9(14)6-8(13)7-10(11)19(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17)
InChIKeyMSKMDWQFTQVQNN-UHFFFAOYSA-N
XLogP3.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 53.56
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-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
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-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942381
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363
5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide (CID 61481199) is 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide is CC(C)(C)CCOc1c(Cl)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide?
The InChIKey is MSKMDWQFTQVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO3S/c1-12(2,3)4-5-18-11-9(14)6-8(13)7-10(11)19(15,16)17/h6-7H,4-5H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide has a molecular weight of 370.70 g/mol, XLogP of 3.56, 4 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-(3,3-dimethylbutoxy)benzenesulfonamide is sourced from PubChem (CID 61481199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).