4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide

C14H11BrN2O2S2 — CID 65475216

IUPAC4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)c(Br)c1
InChIInChI=1S/C14H11BrN2O2S2/c15-12-8-10(16)1-4-14(12)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H,16H2
InChIKeyJEZXPWPRPPYGQZ-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.05
Rot. Bonds3

About 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide

4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide (PubChem CID 65475216) has the molecular formula C14H11BrN2O2S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
PubChem CID65475216
Molecular FormulaC14H11BrN2O2S2
Molecular Weight383.29 g/mol
Exact Mass381.94
IUPAC Name4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)c(Br)c1
InChIInChI=1S/C14H11BrN2O2S2/c15-12-8-10(16)1-4-14(12)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H,16H2
InChIKeyJEZXPWPRPPYGQZ-UHFFFAOYSA-N
XLogP4.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide 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-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
1-N-(1-benzothiophen-5-yl)-2-bromobenzene-1,4-diamine
CID 65474847
4-amino-N-(1-benzothiophen-5-yl)-3-methylbenzenesulfonamide
CID 65475795
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300838
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
4-amino-2-bromo-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 43256338
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
4-amino-2-bromo-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 43256680
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide (CID 65475216) is 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)c(Br)c1.
What is the InChIKey of 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide?
The InChIKey is JEZXPWPRPPYGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S2/c15-12-8-10(16)1-4-14(12)21(18,19)17-11-2-3-13-9(7-11)5-6-20-13/h1-8,17H,16H2.
What are the key properties of 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide?
4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide has a molecular weight of 383.29 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide is sourced from PubChem (CID 65475216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).