N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 63234111

IUPACN-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H15BrN2O2S2/c1-2-8-16(11-5-3-10(15)4-6-11)20(17,18)13-12(14)7-9-19-13/h3-7,9H,2,8,15H2,1H3
InChIKeyCIDLZJJRMQOWDK-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.70
Rot. Bonds5

About N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide

N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide (PubChem CID 63234111) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide
PubChem CID63234111
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide
SMILESCCCN(c1ccc(N)cc1)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C13H15BrN2O2S2/c1-2-8-16(11-5-3-10(15)4-6-11)20(17,18)13-12(14)7-9-19-13/h3-7,9H,2,8,15H2,1H3
InChIKeyCIDLZJJRMQOWDK-UHFFFAOYSA-N
XLogP3.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-bromo-N-propylthiophene-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

3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
N-[(3-aminophenyl)methyl]-3-bromo-N-propylthiophene-2-sulfonamide
CID 61457749
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 61458158
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide (CID 63234111) is N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide is CCCN(c1ccc(N)cc1)S(=O)(=O)c1sccc1Br.
What is the InChIKey of N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide?
The InChIKey is CIDLZJJRMQOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-2-8-16(11-5-3-10(15)4-6-11)20(17,18)13-12(14)7-9-19-13/h3-7,9H,2,8,15H2,1H3.
What are the key properties of N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide?
N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-bromo-N-propylthiophene-2-sulfonamide is sourced from PubChem (CID 63234111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).