N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 43297909

IUPACN-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(N)cc1
InChIInChI=1S/C12H13BrN2O2S2/c1-8(9-2-4-10(14)5-3-9)15-19(16,17)12-7-6-11(13)18-12/h2-8,15H,14H2,1H3
InChIKeyRXSNVPGGUVFKGT-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide

N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide (PubChem CID 43297909) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
PubChem CID43297909
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC NameN-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(N)cc1
InChIInChI=1S/C12H13BrN2O2S2/c1-8(9-2-4-10(14)5-3-9)15-19(16,17)12-7-6-11(13)18-12/h2-8,15H,14H2,1H3
InChIKeyRXSNVPGGUVFKGT-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297962
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]thiophene-2-sulfonamide
CID 60709157
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 55029070
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 112697358
5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide (CID 43297909) is N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Br)s1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide?
The InChIKey is RXSNVPGGUVFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8(9-2-4-10(14)5-3-9)15-19(16,17)12-7-6-11(13)18-12/h2-8,15H,14H2,1H3.
What are the key properties of N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide?
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 43297909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).