N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide

C11H6BrCl2N3O2S2 — CID 3758195

IUPACN-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C11H6BrCl2N3O2S2/c12-7-8(10(14)20-9(7)13)21(18,19)17-11-15-5-3-1-2-4-6(5)16-11/h1-4H,(H2,15,16,17)
InChIKeyFMIPCCGODUPZII-UHFFFAOYSA-N
MW427.13 g/mol
LogP4.49
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide

N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 3758195) has the molecular formula C11H6BrCl2N3O2S2 and a molecular weight of 427.13 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
PubChem CID3758195
Molecular FormulaC11H6BrCl2N3O2S2
Molecular Weight427.13 g/mol
Exact Mass424.85
IUPAC NameN-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1c(Cl)sc(Cl)c1Br
InChIInChI=1S/C11H6BrCl2N3O2S2/c12-7-8(10(14)20-9(7)13)21(18,19)17-11-15-5-3-1-2-4-6(5)16-11/h1-4H,(H2,15,16,17)
InChIKeyFMIPCCGODUPZII-UHFFFAOYSA-N
XLogP4.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.13
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-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-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
2-amino-N-(1H-benzimidazol-2-yl)-6-fluorobenzenesulfonamide
CID 63564636
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
CID 63564707
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
3-N-(1H-benzimidazol-2-yl)-4-chloro-1-N,1-N-diethylbenzene-1,3-disulfonamide
CID 75433916

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide (CID 3758195) is N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1c(Cl)sc(Cl)c1Br.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is FMIPCCGODUPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O2S2/c12-7-8(10(14)20-9(7)13)21(18,19)17-11-15-5-3-1-2-4-6(5)16-11/h1-4H,(H2,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide?
N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 427.13 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 3758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).