4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide

C10H13BrCl2N2O2S — CID 43605913

IUPAC4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N2O2S/c1-14-3-2-4-15-18(16,17)10-8(12)5-7(11)6-9(10)13/h5-6,14-15H,2-4H2,1H3
InChIKeyAWHUWGQWLCLBOO-UHFFFAOYSA-N
MW376.10 g/mol
LogP2.64
Rot. Bonds6

About 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43605913) has the molecular formula C10H13BrCl2N2O2S and a molecular weight of 376.10 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43605913
Molecular FormulaC10H13BrCl2N2O2S
Molecular Weight376.10 g/mol
Exact Mass373.93
IUPAC Name4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N2O2S/c1-14-3-2-4-15-18(16,17)10-8(12)5-7(11)6-9(10)13/h5-6,14-15H,2-4H2,1H3
InChIKeyAWHUWGQWLCLBOO-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.10
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
4-bromo-2,6-dichloro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63961201
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 4967816
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-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 51123228
4-bromo-2,6-dichloro-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 60639898

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43605913) is 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is AWHUWGQWLCLBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N2O2S/c1-14-3-2-4-15-18(16,17)10-8(12)5-7(11)6-9(10)13/h5-6,14-15H,2-4H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 376.10 g/mol, XLogP of 2.64, 6 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-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43605913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).