2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride

C6H6BrClN2O4S2 — CID 43823049

IUPAC2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
SMILESNS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C6H6BrClN2O4S2/c7-5-3-4(10-16(9,13)14)1-2-6(5)15(8,11)12/h1-3,10H,(H2,9,13,14)
InChIKeyRSQXONANEBGECE-UHFFFAOYSA-N
MW349.62 g/mol
LogP0.99
Rot. Bonds3

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

2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride (PubChem CID 43823049) has the molecular formula C6H6BrClN2O4S2 and a molecular weight of 349.62 g/mol. Its IUPAC name is 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
PubChem CID43823049
Molecular FormulaC6H6BrClN2O4S2
Molecular Weight349.62 g/mol
Exact Mass347.86
IUPAC Name2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
SMILESNS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C6H6BrClN2O4S2/c7-5-3-4(10-16(9,13)14)1-2-6(5)15(8,11)12/h1-3,10H,(H2,9,13,14)
InChIKeyRSQXONANEBGECE-UHFFFAOYSA-N
XLogP0.99
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 43103495
2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16773980
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
2-bromo-4-(cycloheptanecarbonylamino)benzenesulfonyl chloride
CID 62586848
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
2-bromo-4-N-(methylsulfamoyl)benzene-1,4-diamine
CID 114804926
2-bromo-4-[(2-methylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176182
5-(sulfamoylamino)-1H-indole
CID 112573166
2-bromo-4-chlorobenzenesulfonamide
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1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
CID 58523293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride (CID 43823049) is 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride is NS(=O)(=O)Nc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride?
The InChIKey is RSQXONANEBGECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O4S2/c7-5-3-4(10-16(9,13)14)1-2-6(5)15(8,11)12/h1-3,10H,(H2,9,13,14).
What are the key properties of 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride?
2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride has a molecular weight of 349.62 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 43823049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).