N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide

C10H9BrN2O2S2 — CID 43166676

IUPACN-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C10H9BrN2O2S2/c11-9-5-6-10(16-9)17(14,15)13-8-3-1-7(12)2-4-8/h1-6,13H,12H2
InChIKeySRQQVDHSIKSBEC-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.89
Rot. Bonds3

About N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide

N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide (PubChem CID 43166676) has the molecular formula C10H9BrN2O2S2 and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
PubChem CID43166676
Molecular FormulaC10H9BrN2O2S2
Molecular Weight333.23 g/mol
Exact Mass331.93
IUPAC NameN-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C10H9BrN2O2S2/c11-9-5-6-10(16-9)17(14,15)13-8-3-1-7(12)2-4-8/h1-6,13H,12H2
InChIKeySRQQVDHSIKSBEC-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
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)-5-bromothiophene-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

5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
N-(6-amino-3-pyridinyl)-5-bromothiophene-2-sulfonamide
CID 60790488
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
N-[4-(2-adamantyl)phenyl]-5-bromothiophene-2-sulfonamide
CID 126180700
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromothiophene-2-sulfonohydrazide
CID 23464136
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide (CID 43166676) is N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide is Nc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide?
The InChIKey is SRQQVDHSIKSBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S2/c11-9-5-6-10(16-9)17(14,15)13-8-3-1-7(12)2-4-8/h1-6,13H,12H2.
What are the key properties of N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide?
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide has a molecular weight of 333.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 43166676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).