4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

C13H18BrCl2NO3S — CID 106288270

IUPAC4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H18BrCl2NO3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17-18H,3-4,7H2,1-2H3
InChIKeyHQMUVNVKLCJTBN-UHFFFAOYSA-N
MW419.17 g/mol
LogP3.83
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (PubChem CID 106288270) has the molecular formula C13H18BrCl2NO3S and a molecular weight of 419.17 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
PubChem CID106288270
Molecular FormulaC13H18BrCl2NO3S
Molecular Weight419.17 g/mol
Exact Mass416.96
IUPAC Name4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
SMILESCCC(CC)C(O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H18BrCl2NO3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17-18H,3-4,7H2,1-2H3
InChIKeyHQMUVNVKLCJTBN-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.17
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
N-(3-ethyl-2-hydroxypentyl)-2,4,6-trimethylbenzenesulfonamide
CID 103835154
2-amino-6-chloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106284162
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
4-amino-N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzenesulfonamide
CID 106284209
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
5-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methylthiophene-2-sulfonamide
CID 103270087
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide (CID 106288270) is 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is CCC(CC)C(O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
The InChIKey is HQMUVNVKLCJTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrCl2NO3S/c1-3-8(4-2)12(18)7-17-21(19,20)13-10(15)5-9(14)6-11(13)16/h5-6,8,12,17-18H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide has a molecular weight of 419.17 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 106288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).