2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

C10H14BrNO3S — CID 60957937

IUPAC2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8H2,1H3
InChIKeyPUWOESMDSJSHNP-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.45
Rot. Bonds5

About 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide

2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 60957937) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID60957937
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8H2,1H3
InChIKeyPUWOESMDSJSHNP-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
2-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610463
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide
CID 44602066
2-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880356

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 60957937) is 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide is CCN(CCO)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is PUWOESMDSJSHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-2-12(7-8-13)16(14,15)10-6-4-3-5-9(10)11/h3-6,13H,2,7-8H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide?
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.45, 5 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-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 60957937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).