4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide

C14H20BrCl2NO2S — CID 60639898

IUPAC4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H20BrCl2NO2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-12(16)7-11(15)8-13(14)17/h7-10,18H,4-6H2,1-3H3
InChIKeyOODWOPPVPDFKMF-UHFFFAOYSA-N
MW417.20 g/mol
LogP5.25
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 60639898) has the molecular formula C14H20BrCl2NO2S and a molecular weight of 417.20 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID60639898
Molecular FormulaC14H20BrCl2NO2S
Molecular Weight417.20 g/mol
Exact Mass414.98
IUPAC Name4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H20BrCl2NO2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-12(16)7-11(15)8-13(14)17/h7-10,18H,4-6H2,1-3H3
InChIKeyOODWOPPVPDFKMF-UHFFFAOYSA-N
XLogP5.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.20
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61221311
4-bromo-2,6-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61246458
5,6-dichloro-N-(6-methylheptan-2-yl)pyridine-3-sulfonamide
CID 64608367
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
4-bromo-2,6-dichloro-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106228954
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]pentanoic acid
CID 43631162
(2S,3R)-2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 28828747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 60639898) is 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is OODWOPPVPDFKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrCl2NO2S/c1-9(2)5-4-6-10(3)18-21(19,20)14-12(16)7-11(15)8-13(14)17/h7-10,18H,4-6H2,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 417.20 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60639898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).