N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide

C18H12ClFN4O2S — CID 53387572

IUPACN-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nc[nH]c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-17(24-27(25,26)14-4-2-13(20)3-5-14)8-12(9-21-18)11-1-6-15-16(7-11)23-10-22-15/h1-10,24H,(H,22,23)
InChIKeyDCYHRPCQNLKFKP-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.22
Rot. Bonds4

About N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 53387572) has the molecular formula C18H12ClFN4O2S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID53387572
Molecular FormulaC18H12ClFN4O2S
Molecular Weight402.84 g/mol
Exact Mass402.04
IUPAC NameN-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nc[nH]c3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-17(24-27(25,26)14-4-2-13(20)3-5-14)8-12(9-21-18)11-1-6-15-16(7-11)23-10-22-15/h1-10,24H,(H,22,23)
InChIKeyDCYHRPCQNLKFKP-UHFFFAOYSA-N
XLogP4.22
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 53387572) is N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nc[nH]c3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is DCYHRPCQNLKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2S/c19-18-17(24-27(25,26)14-4-2-13(20)3-5-14)8-12(9-21-18)11-1-6-15-16(7-11)23-10-22-15/h1-10,24H,(H,22,23).
What are the key properties of N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 402.84 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 53387572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).