3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide

C15H17BrN2O2S — CID 60697674

IUPAC3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(14-7-3-2-4-8-14)11-10-17-21(19,20)15-9-5-6-13(16)12-15/h2-9,12,17H,10-11H2,1H3
InChIKeySKBYLCGBPMXLHP-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.86
Rot. Bonds6

About 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide

3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide (PubChem CID 60697674) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
PubChem CID60697674
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide
SMILESCN(CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(14-7-3-2-4-8-14)11-10-17-21(19,20)15-9-5-6-13(16)12-15/h2-9,12,17H,10-11H2,1H3
InChIKeySKBYLCGBPMXLHP-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
CID 94612911
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
3-bromo-N-(3-chlorobutyl)benzenesulfonamide
CID 65033049
N-[(3-bromophenyl)methyl]-N'-methyl-N'-phenylethane-1,2-diamine
CID 112823297
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
3-bromo-N-(3-cyanopropyl)benzenesulfonamide
CID 62665683
3-[(3-bromophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 55346369
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
3-bromo-N-[2-(2-hydroxypropylamino)ethyl]benzenesulfonamide
CID 113430481
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30214262
3-[(3-bromophenyl)sulfonylamino]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408273

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide (CID 60697674) is 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide is CN(CCNS(=O)(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide?
The InChIKey is SKBYLCGBPMXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(14-7-3-2-4-8-14)11-10-17-21(19,20)15-9-5-6-13(16)12-15/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide?
3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(N-methylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 60697674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).