N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide

C24H25N3O3S — CID 59008002

IUPACN-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESCC(O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-8,10-13,15-16,27-28H,9,14H2,1-2H3,(H,25,26)
InChIKeyXYRFLBWHSNIKRR-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.44
Rot. Bonds7

About N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide

N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide (PubChem CID 59008002) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
PubChem CID59008002
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
SMILESCC(O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H25N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-8,10-13,15-16,27-28H,9,14H2,1-2H3,(H,25,26)
InChIKeyXYRFLBWHSNIKRR-UHFFFAOYSA-N
XLogP4.44
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide (CID 59008002) is N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide is CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
The InChIKey is XYRFLBWHSNIKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30/h3-8,10-13,15-16,27-28H,9,14H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 59008002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).