N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide

C12H13BrN2O2S2 — CID 63229626

IUPACN-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-2-15(10-5-3-4-9(14)8-10)19(16,17)12-7-6-11(13)18-12/h3-8H,2,14H2,1H3
InChIKeyPUOLMTPNSXTXLQ-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.31
Rot. Bonds4

About N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide

N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide (PubChem CID 63229626) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
PubChem CID63229626
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC NameN-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1cccc(N)c1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C12H13BrN2O2S2/c1-2-15(10-5-3-4-9(14)8-10)19(16,17)12-7-6-11(13)18-12/h3-8H,2,14H2,1H3
InChIKeyPUOLMTPNSXTXLQ-UHFFFAOYSA-N
XLogP3.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-5-ethyl-N-propylthiophene-2-sulfonamide
CID 63229565
N-(3-aminophenyl)-5-bromo-N-ethylpyridine-3-sulfonamide
CID 63229538
N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
N-(3-aminophenyl)-N-ethyl-2-methoxyethanesulfonamide
CID 55174195
N-(3-aminophenyl)-N-ethylbutane-1-sulfonamide
CID 63229885
N-(4-aminophenyl)-N,5-diethylthiophene-2-sulfonamide
CID 63234172
N-(3-aminophenyl)-N,5-dimethylthiophene-2-sulfonamide
CID 61296020
N-(3-aminophenyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 63229539
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
3-N-[(5-bromothiophen-2-yl)methyl]-3-N-methylbenzene-1,3-diamine
CID 61295641
N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide (CID 63229626) is N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide is CCN(c1cccc(N)c1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide?
The InChIKey is PUOLMTPNSXTXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-2-15(10-5-3-4-9(14)8-10)19(16,17)12-7-6-11(13)18-12/h3-8H,2,14H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide?
N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-bromo-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 63229626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).