3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide

C11H17BrN2O3S — CID 120708882

IUPAC3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Br)cc(OC)c1
InChIInChI=1S/C11H17BrN2O3S/c1-3-13-4-5-14-18(15,16)11-7-9(12)6-10(8-11)17-2/h6-8,13-14H,3-5H2,1-2H3
InChIKeyPCLZDEZYZXJIED-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.35
Rot. Bonds7

About 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide

3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide (PubChem CID 120708882) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
PubChem CID120708882
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Br)cc(OC)c1
InChIInChI=1S/C11H17BrN2O3S/c1-3-13-4-5-14-18(15,16)11-7-9(12)6-10(8-11)17-2/h6-8,13-14H,3-5H2,1-2H3
InChIKeyPCLZDEZYZXJIED-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
CID 119974003
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-5-methoxybenzenesulfonamide
CID 120724277
N-[2-(3-bromophenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113099676
N-[2-(ethylamino)ethyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 119973555
N-[2-(ethylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119973870
3-bromo-N-[2-(ethylamino)ethyl]-4-methyl-5-nitrobenzenesulfonamide
CID 119973774
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide (CID 120708882) is 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide is CCNCCNS(=O)(=O)c1cc(Br)cc(OC)c1.
What is the InChIKey of 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide?
The InChIKey is PCLZDEZYZXJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-3-13-4-5-14-18(15,16)11-7-9(12)6-10(8-11)17-2/h6-8,13-14H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide?
3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide is sourced from PubChem (CID 120708882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).