2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide

C20H19N3O2S — CID 70573499

IUPAC2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3nc(C4=CCC=C4)[nH]c3c2)cc1
InChIInChI=1S/C20H19N3O2S/c1-2-14-7-9-16(10-8-14)23-26(24,25)17-11-12-18-19(13-17)22-20(21-18)15-5-3-4-6-15/h3,5-13,23H,2,4H2,1H3,(H,21,22)
InChIKeyDRBBFWIYDYPCPG-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.27
Rot. Bonds5

About 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide

2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 70573499) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID70573499
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc3nc(C4=CCC=C4)[nH]c3c2)cc1
InChIInChI=1S/C20H19N3O2S/c1-2-14-7-9-16(10-8-14)23-26(24,25)17-11-12-18-19(13-17)22-20(21-18)15-5-3-4-6-15/h3,5-13,23H,2,4H2,1H3,(H,21,22)
InChIKeyDRBBFWIYDYPCPG-UHFFFAOYSA-N
XLogP4.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-[[2-[4-[(dimethylamino)methyl]phenyl]-3H-benzimidazol-5-yl]sulfonylamino]benzoate
CID 90217003
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
2-[7-(diethylamino)-2-oxochromen-3-yl]-N-(4-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 101459729
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide (CID 70573499) is 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc3nc(C4=CCC=C4)[nH]c3c2)cc1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is DRBBFWIYDYPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-14-7-9-16(10-8-14)23-26(24,25)17-11-12-18-19(13-17)22-20(21-18)15-5-3-4-6-15/h3,5-13,23H,2,4H2,1H3,(H,21,22).
What are the key properties of 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide?
2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yl-N-(4-ethylphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 70573499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).