3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

C20H17ClN4O2S — CID 53063297

IUPAC3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccncc2)nc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2S/c21-16-4-3-5-17(14-16)28(26,27)23-12-13-25-19-7-2-1-6-18(19)24-20(25)15-8-10-22-11-9-15/h1-11,14,23H,12-13H2
InChIKeyUQBRFQXKCUZHQS-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.73
Rot. Bonds6

About 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide

3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 53063297) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID53063297
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC Name3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccncc2)nc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C20H17ClN4O2S/c21-16-4-3-5-17(14-16)28(26,27)23-12-13-25-19-7-2-1-6-18(19)24-20(25)15-8-10-22-11-9-15/h1-11,14,23H,12-13H2
InChIKeyUQBRFQXKCUZHQS-UHFFFAOYSA-N
XLogP3.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide (CID 53063297) is 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCn1c(-c2ccncc2)nc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is UQBRFQXKCUZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-16-4-3-5-17(14-16)28(26,27)23-12-13-25-19-7-2-1-6-18(19)24-20(25)15-8-10-22-11-9-15/h1-11,14,23H,12-13H2.
What are the key properties of 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide?
3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 53063297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).