N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

C29H34N4O2S — CID 53326239

IUPACN-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1C1CCN(CCC(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H34N4O2S/c1-23-31-28-14-8-9-15-29(28)33(23)26-17-20-32(21-18-26)19-16-25(24-10-4-2-5-11-24)22-30-36(34,35)27-12-6-3-7-13-27/h2-15,25-26,30H,16-22H2,1H3
InChIKeyOGNORWCOELPFMG-UHFFFAOYSA-N
MW502.68 g/mol
LogP5.13
Rot. Bonds9

About N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide

N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (PubChem CID 53326239) has the molecular formula C29H34N4O2S and a molecular weight of 502.68 g/mol. Its IUPAC name is N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
PubChem CID53326239
Molecular FormulaC29H34N4O2S
Molecular Weight502.68 g/mol
Exact Mass502.24
IUPAC NameN-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
SMILESCc1nc2ccccc2n1C1CCN(CCC(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H34N4O2S/c1-23-31-28-14-8-9-15-29(28)33(23)26-17-20-32(21-18-26)19-16-25(24-10-4-2-5-11-24)22-30-36(34,35)27-12-6-3-7-13-27/h2-15,25-26,30H,16-22H2,1H3
InChIKeyOGNORWCOELPFMG-UHFFFAOYSA-N
XLogP5.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The IUPAC name of N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide (CID 53326239) is N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The canonical SMILES for N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is Cc1nc2ccccc2n1C1CCN(CCC(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
The InChIKey is OGNORWCOELPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2S/c1-23-31-28-14-8-9-15-29(28)33(23)26-17-20-32(21-18-26)19-16-25(24-10-4-2-5-11-24)22-30-36(34,35)27-12-6-3-7-13-27/h2-15,25-26,30H,16-22H2,1H3.
What are the key properties of N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide?
N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide has a molecular weight of 502.68 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide is sourced from PubChem (CID 53326239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).