2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide

C11H15BrN2O3S — CID 80980104

IUPAC2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H15BrN2O3S/c1-8-3-4-10(12)9(7-8)11(15)13-5-6-14-18(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMTAMCPLGRLOCOJ-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.04
Rot. Bonds5

About 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide

2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide (PubChem CID 80980104) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
PubChem CID80980104
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C11H15BrN2O3S/c1-8-3-4-10(12)9(7-8)11(15)13-5-6-14-18(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyMTAMCPLGRLOCOJ-UHFFFAOYSA-N
XLogP1.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[3-(methanesulfonamido)propyl]-4-methylbenzamide
CID 113337803
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 39975858
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
2-bromo-N-(3-bromobutyl)-5-methylbenzamide
CID 114312710
3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
CID 61094438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide (CID 80980104) is 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide?
The InChIKey is MTAMCPLGRLOCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-8-3-4-10(12)9(7-8)11(15)13-5-6-14-18(2,16)17/h3-4,7,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide?
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide has a molecular weight of 335.22 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide is sourced from PubChem (CID 80980104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).