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

C10H12BrCl2NO2S2 — CID 63961201

IUPAC4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyVRYAWTHEEHUZEV-UHFFFAOYSA-N
MW393.16 g/mol
LogP3.79
Rot. Bonds6

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

4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63961201) has the molecular formula C10H12BrCl2NO2S2 and a molecular weight of 393.16 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63961201
Molecular FormulaC10H12BrCl2NO2S2
Molecular Weight393.16 g/mol
Exact Mass390.89
IUPAC Name4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H12BrCl2NO2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3
InChIKeyVRYAWTHEEHUZEV-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
4-bromo-2-chloro-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 113238999
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-bromo-2,6-dichloro-N-(2-cyclopentylethyl)benzenesulfonamide
CID 63422598
4-bromo-2,6-dichloro-N-(4-methylsulfanylbutyl)aniline
CID 103087339
5-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63960993
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide (CID 63961201) is 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide is CSCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is VRYAWTHEEHUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO2S2/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 393.16 g/mol, XLogP of 3.79, 6 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-(3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63961201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).