4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide

C14H14BrN3O3S — CID 22431556

IUPAC4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)C3=CC=C(Br)C3)ccc21
InChIInChI=1S/C14H14BrN3O3S/c1-17-12-6-4-10(8-13(12)18(2)14(17)19)16-22(20,21)11-5-3-9(15)7-11/h3-6,8,16H,7H2,1-2H3
InChIKeyPUAIVCASISTYNT-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.19
Rot. Bonds3

About 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide

4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide (PubChem CID 22431556) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide
PubChem CID22431556
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)C3=CC=C(Br)C3)ccc21
InChIInChI=1S/C14H14BrN3O3S/c1-17-12-6-4-10(8-13(12)18(2)14(17)19)16-22(20,21)11-5-3-9(15)7-11/h3-6,8,16H,7H2,1-2H3
InChIKeyPUAIVCASISTYNT-UHFFFAOYSA-N
XLogP2.19
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide?
The IUPAC name of 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide (CID 22431556) is 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)C3=CC=C(Br)C3)ccc21.
What is the InChIKey of 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide?
The InChIKey is PUAIVCASISTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c1-17-12-6-4-10(8-13(12)18(2)14(17)19)16-22(20,21)11-5-3-9(15)7-11/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide?
4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide has a molecular weight of 384.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)cyclopenta-1,3-diene-1-sulfonamide is sourced from PubChem (CID 22431556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).