2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

C11H16BrNO3S — CID 115755429

IUPAC2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO3S/c1-2-13(8-5-9-14)17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,14H,2,5,8-9H2,1H3
InChIKeyOILAKERSINXEEN-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.84
Rot. Bonds6

About 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide

2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 115755429) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID115755429
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO3S/c1-2-13(8-5-9-14)17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,14H,2,5,8-9H2,1H3
InChIKeyOILAKERSINXEEN-UHFFFAOYSA-N
XLogP1.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
4-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755380
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide
CID 44602066
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
3-[(3-bromo-2-fluorophenyl)sulfonyl-ethylamino]propanoic acid
CID 166293268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 115755429) is 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is CCN(CCCO)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is OILAKERSINXEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-2-13(8-5-9-14)17(15,16)11-7-4-3-6-10(11)12/h3-4,6-7,14H,2,5,8-9H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide?
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 115755429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).