4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide

C14H15BrN2O2S2 — CID 82686722

IUPAC4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cc1
InChIInChI=1S/C14H15BrN2O2S2/c15-14-8-11-12(2-1-3-13(11)20-14)17-9-4-6-10(7-5-9)21(16,18)19/h4-8,12,17H,1-3H2,(H2,16,18,19)
InChIKeyNAYMFXSALMRNQT-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.65
Rot. Bonds3

About 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide

4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide (PubChem CID 82686722) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide
PubChem CID82686722
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cc1
InChIInChI=1S/C14H15BrN2O2S2/c15-14-8-11-12(2-1-3-13(11)20-14)17-9-4-6-10(7-5-9)21(16,18)19/h4-8,12,17H,1-3H2,(H2,16,18,19)
InChIKeyNAYMFXSALMRNQT-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-bromo-N-(4-bromo-3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687344
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-6-methylsulfonylpyridin-3-amine
CID 82686299
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
CID 82686883
2-bromo-N-(3-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687029
2-bromo-N-(4-propoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82010961
2-bromo-N-(4-bromo-3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 107571973
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzenesulfonamide
CID 115465939
2-bromo-N-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686874
N-(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-methylpyrazol-4-amine
CID 82686391
2-bromo-N-(3-chloro-4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82012021
2-bromo-N-(3-bromo-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82858389
2-bromo-N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686930

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide (CID 82686722) is 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2CCCc3sc(Br)cc32)cc1.
What is the InChIKey of 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide?
The InChIKey is NAYMFXSALMRNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-14-8-11-12(2-1-3-13(11)20-14)17-9-4-6-10(7-5-9)21(16,18)19/h4-8,12,17H,1-3H2,(H2,16,18,19).
What are the key properties of 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide?
4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82686722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).