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

C11H15BrN2O2S — CID 55100980

IUPAC2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-7-13-9-5-6-9/h1-4,9,13-14H,5-8H2
InChIKeyYFUCKRFZADEDGA-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.48
Rot. Bonds6

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

2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide (PubChem CID 55100980) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
PubChem CID55100980
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1ccccc1Br
InChIInChI=1S/C11H15BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-7-13-9-5-6-9/h1-4,9,13-14H,5-8H2
InChIKeyYFUCKRFZADEDGA-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.48
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-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
2,5-dibromo-N-[2-(cyclopropylamino)ethyl]-4-methylbenzenesulfonamide
CID 81326640
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
2-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 102675926
N-[2-(cycloheptylamino)ethyl]benzenesulfonamide
CID 78977968
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
N-[2-(cyclopropylamino)ethyl]-2-methyl-3-nitrobenzenesulfonamide
CID 62664979
2-bromo-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]benzenesulfonamide
CID 99997005

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide (CID 55100980) is 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide is O=S(=O)(NCCNC1CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide?
The InChIKey is YFUCKRFZADEDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-7-13-9-5-6-9/h1-4,9,13-14H,5-8H2.
What are the key properties of 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide?
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 55100980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).