2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

C12H16BrNO3S — CID 51076370

IUPAC2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyNDDDEXGVSUOSOR-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.30
Rot. Bonds5

About 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide

2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (PubChem CID 51076370) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
PubChem CID51076370
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CCCO1)c1ccccc1Br
InChIInChI=1S/C12H16BrNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyNDDDEXGVSUOSOR-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2-bromo-5-(hydroxymethyl)-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 106014412
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
4-amino-2-methyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61127442
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
2-bromo-N-[2-(cyclopropylamino)ethyl]benzenesulfonamide
CID 55100980
2-bromo-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide
CID 8716697
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
2-methyl-5-nitro-N-[2-[(2S)-oxolan-2-yl]ethyl]benzenesulfonamide
CID 31811302

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide (CID 51076370) is 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1CCCO1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is NDDDEXGVSUOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c13-11-5-1-2-6-12(11)18(15,16)14-8-7-10-4-3-9-17-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51076370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).