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

C9H13BrN2O4S2 — CID 110292936

IUPAC4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7H2,1H3
InChIKeyFZSNUGWGJADMFN-UHFFFAOYSA-N
MW357.25 g/mol
LogP0.28
Rot. Bonds6

About 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 110292936) has the molecular formula C9H13BrN2O4S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID110292936
Molecular FormulaC9H13BrN2O4S2
Molecular Weight357.25 g/mol
Exact Mass355.95
IUPAC Name4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7H2,1H3
InChIKeyFZSNUGWGJADMFN-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

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-(2-aminooxyethyl)-4-bromobenzenesulfonamide
CID 39404275
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 110292936) is 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is FZSNUGWGJADMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O4S2/c1-11-17(13,14)7-6-12-18(15,16)9-4-2-8(10)3-5-9/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
4-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 4-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110292936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).