4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C13H12BrCl2NO2S2 — CID 63420478

IUPAC4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2NO2S2/c1-8(4-9-2-3-20-7-9)17-21(18,19)13-11(15)5-10(14)6-12(13)16/h2-3,5-8,17H,4H2,1H3
InChIKeyKWMZVMWWJYJMDE-UHFFFAOYSA-N
MW429.19 g/mol
LogP4.73
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63420478) has the molecular formula C13H12BrCl2NO2S2 and a molecular weight of 429.19 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID63420478
Molecular FormulaC13H12BrCl2NO2S2
Molecular Weight429.19 g/mol
Exact Mass426.89
IUPAC Name4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C13H12BrCl2NO2S2/c1-8(4-9-2-3-20-7-9)17-21(18,19)13-11(15)5-10(14)6-12(13)16/h2-3,5-8,17H,4H2,1H3
InChIKeyKWMZVMWWJYJMDE-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61223337
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898
5-bromo-3-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 103582447
4-bromo-2,6-dichloro-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 47957290
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
4-bromo-2,6-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61221311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 63420478) is 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is KWMZVMWWJYJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2NO2S2/c1-8(4-9-2-3-20-7-9)17-21(18,19)13-11(15)5-10(14)6-12(13)16/h2-3,5-8,17H,4H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 429.19 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63420478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).