N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

C19H18ClN3O3S — CID 31824622

IUPACN-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H18ClN3O3S/c20-14-7-9-15(10-8-14)27(25,26)19(11-3-4-12-19)18(24)22-23-13-21-16-5-1-2-6-17(16)23/h1-2,5-10,13H,3-4,11-12H2,(H,22,24)
InChIKeyBAIRPIXXYNKVLJ-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.55
Rot. Bonds4

About N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide

N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (PubChem CID 31824622) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
PubChem CID31824622
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
SMILESO=C(Nn1cnc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C19H18ClN3O3S/c20-14-7-9-15(10-8-14)27(25,26)19(11-3-4-12-19)18(24)22-23-13-21-16-5-1-2-6-17(16)23/h1-2,5-10,13H,3-4,11-12H2,(H,22,24)
InChIKeyBAIRPIXXYNKVLJ-UHFFFAOYSA-N
XLogP3.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide (CID 31824622) is N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is O=C(Nn1cnc2ccccc21)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
The InChIKey is BAIRPIXXYNKVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-14-7-9-15(10-8-14)27(25,26)19(11-3-4-12-19)18(24)22-23-13-21-16-5-1-2-6-17(16)23/h1-2,5-10,13H,3-4,11-12H2,(H,22,24).
What are the key properties of N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide?
N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 31824622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).