N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

C21H26N4O2S — CID 666480

IUPACN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H26N4O2S/c1-24-20-11-10-17(23-28(26,27)18-8-4-2-5-9-18)16-19(20)22-21(24)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16,23H,3,6-7,12-15H2,1H3
InChIKeyALWKXGOVQCHBGZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.40
Rot. Bonds6

About N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 666480) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID666480
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C21H26N4O2S/c1-24-20-11-10-17(23-28(26,27)18-8-4-2-5-9-18)16-19(20)22-21(24)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16,23H,3,6-7,12-15H2,1H3
InChIKeyALWKXGOVQCHBGZ-UHFFFAOYSA-N
XLogP3.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (CID 666480) is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is ALWKXGOVQCHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-24-20-11-10-17(23-28(26,27)18-8-4-2-5-9-18)16-19(20)22-21(24)12-15-25-13-6-3-7-14-25/h2,4-5,8-11,16,23H,3,6-7,12-15H2,1H3.
What are the key properties of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 666480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).