N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide

C20H16N4O3S — CID 66613756

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2[nH]1
InChIInChI=1S/C20H16N4O3S/c25-20(19-23-17-10-11-21-13-18(17)24-19)22-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)(H,23,24)
InChIKeyFFXPRDZEZDYFRV-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide

N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 66613756) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID66613756
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2[nH]1
InChIInChI=1S/C20H16N4O3S/c25-20(19-23-17-10-11-21-13-18(17)24-19)22-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)(H,23,24)
InChIKeyFFXPRDZEZDYFRV-UHFFFAOYSA-N
XLogP2.72
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide (CID 66613756) is N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1nc2ccncc2[nH]1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is FFXPRDZEZDYFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(19-23-17-10-11-21-13-18(17)24-19)22-12-14-6-8-16(9-7-14)28(26,27)15-4-2-1-3-5-15/h1-11,13H,12H2,(H,22,25)(H,23,24).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 66613756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).