N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H17N3O3S — CID 66610605

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H17N3O3S/c25-21(17-8-11-20-22-12-13-24(20)15-17)23-14-16-6-9-19(10-7-16)28(26,27)18-4-2-1-3-5-18/h1-13,15H,14H2,(H,23,25)
InChIKeyKBFXHILUYQCFMA-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.10
Rot. Bonds5

About N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 66610605) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID66610605
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C21H17N3O3S/c25-21(17-8-11-20-22-12-13-24(20)15-17)23-14-16-6-9-19(10-7-16)28(26,27)18-4-2-1-3-5-18/h1-13,15H,14H2,(H,23,25)
InChIKeyKBFXHILUYQCFMA-UHFFFAOYSA-N
XLogP3.10
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 66610605) is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is KBFXHILUYQCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-21(17-8-11-20-22-12-13-24(20)15-17)23-14-16-6-9-19(10-7-16)28(26,27)18-4-2-1-3-5-18/h1-13,15H,14H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 66610605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).