2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide

C11H17BrN2O3S — CID 21404251

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc(O)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-13(2)6-7-14(3)18(16,17)11-5-4-9(15)8-10(11)12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMNIDQRMVMCMAU-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.34
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide

2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide (PubChem CID 21404251) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
PubChem CID21404251
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1ccc(O)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-13(2)6-7-14(3)18(16,17)11-5-4-9(15)8-10(11)12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMNIDQRMVMCMAU-UHFFFAOYSA-N
XLogP1.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 65207033
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61217796
3-bromo-5-[2-(dimethylamino)ethyl-methylsulfamoyl]-4-methylbenzoic acid
CID 81479863
3-[(2,4-dibromophenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 103644791
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
4-(aminomethyl)-2-bromo-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667211
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-[(2-bromo-4-fluorophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103862497
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide (CID 21404251) is 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1ccc(O)cc1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is OMNIDQRMVMCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-13(2)6-7-14(3)18(16,17)11-5-4-9(15)8-10(11)12/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide?
2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 21404251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).