2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

C9H13BrN2O4S2 — CID 102675926

IUPAC2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-5-3-2-4-8(9)10/h2-5,11-12H,6-7H2,1H3
InChIKeyXPSSYNMFHSXPCC-UHFFFAOYSA-N
MW357.25 g/mol
LogP0.28
Rot. Bonds6

About 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 102675926) has the molecular formula C9H13BrN2O4S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID102675926
Molecular FormulaC9H13BrN2O4S2
Molecular Weight357.25 g/mol
Exact Mass355.95
IUPAC Name2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-5-3-2-4-8(9)10/h2-5,11-12H,6-7H2,1H3
InChIKeyXPSSYNMFHSXPCC-UHFFFAOYSA-N
XLogP0.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106342257
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 110292936
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300997
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 102675926) is 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is XPSSYNMFHSXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-5-3-2-4-8(9)10/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 357.25 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 102675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).