3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide

C16H17BrN2O3S — CID 113068437

IUPAC3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)11-10-18-16(20)13-6-5-7-14(17)12-13/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyBPESBYHXEJIRRZ-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.65
Rot. Bonds6

About 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide

3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113068437) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113068437
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC Name3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)11-10-18-16(20)13-6-5-7-14(17)12-13/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyBPESBYHXEJIRRZ-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069948
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
methyl N-[2-(3-bromo-N-methylsulfonylanilino)ethyl]carbamate
CID 113071573
N-[2-(4-cyano-N-methylsulfonylanilino)ethyl]benzamide
CID 113072304
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
N-[2-(4-bromo-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070321
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide (CID 113068437) is 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is BPESBYHXEJIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-23(21,22)19(15-8-3-2-4-9-15)11-10-18-16(20)13-6-5-7-14(17)12-13/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide?
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 397.29 g/mol, XLogP of 2.65, 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-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).