2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride

C9H11BrClNO4S2 — CID 43103495

IUPAC2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO4S2/c1-2-5-17(13,14)12-7-3-4-9(8(10)6-7)18(11,15)16/h3-4,6,12H,2,5H2,1H3
InChIKeyGFGHZOKWESGILP-UHFFFAOYSA-N
MW376.68 g/mol
LogP2.53
Rot. Bonds5

About 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride

2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride (PubChem CID 43103495) has the molecular formula C9H11BrClNO4S2 and a molecular weight of 376.68 g/mol. Its IUPAC name is 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
PubChem CID43103495
Molecular FormulaC9H11BrClNO4S2
Molecular Weight376.68 g/mol
Exact Mass374.90
IUPAC Name2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C9H11BrClNO4S2/c1-2-5-17(13,14)12-7-3-4-9(8(10)6-7)18(11,15)16/h3-4,6,12H,2,5H2,1H3
InChIKeyGFGHZOKWESGILP-UHFFFAOYSA-N
XLogP2.53
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
CID 43823049
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
2-ethyl-4-(ethylsulfonylamino)benzenesulfonyl chloride
CID 16776354
5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 82757619
2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16773980
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
CID 103609332
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride (CID 43103495) is 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride?
The InChIKey is GFGHZOKWESGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO4S2/c1-2-5-17(13,14)12-7-3-4-9(8(10)6-7)18(11,15)16/h3-4,6,12H,2,5H2,1H3.
What are the key properties of 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride?
2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride has a molecular weight of 376.68 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43103495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).