N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

C12H19BrN2O3S — CID 106076725

IUPACN-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C12H19BrN2O3S/c1-3-14-5-4-6-19(16,17)15-11-7-10(13)8-12(9-11)18-2/h7-9,14-15H,3-6H2,1-2H3
InChIKeyFFFKZCNEZXQFFE-UHFFFAOYSA-N
MW351.27 g/mol
LogP2.20
Rot. Bonds8

About N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide

N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 106076725) has the molecular formula C12H19BrN2O3S and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID106076725
Molecular FormulaC12H19BrN2O3S
Molecular Weight351.27 g/mol
Exact Mass350.03
IUPAC NameN-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C12H19BrN2O3S/c1-3-14-5-4-6-19(16,17)15-11-7-10(13)8-12(9-11)18-2/h7-9,14-15H,3-6H2,1-2H3
InChIKeyFFFKZCNEZXQFFE-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 52.20
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-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
N-(3-bromo-5-methoxyphenyl)-2-methylpropane-1-sulfonamide
CID 135348293
3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028
N-(3-bromo-5-methoxyphenyl)-1-cyanomethanesulfonamide
CID 82867498
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
3-bromo-N-[2-(ethylamino)ethyl]-5-methoxybenzenesulfonamide
CID 120708882
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide (CID 106076725) is N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is FFFKZCNEZXQFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S/c1-3-14-5-4-6-19(16,17)15-11-7-10(13)8-12(9-11)18-2/h7-9,14-15H,3-6H2,1-2H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 351.27 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 106076725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).