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

C20H16N4O3S — CID 66614012

IUPACN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1
InChIInChI=1S/C20H16N4O3S/c25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16/h1-11,13-14H,12H2,(H,23,25)
InChIKeyKGPYDYAXVWXCHJ-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.49
Rot. Bonds5

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

N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 66614012) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID66614012
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1
InChIInChI=1S/C20H16N4O3S/c25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16/h1-11,13-14H,12H2,(H,23,25)
InChIKeyKGPYDYAXVWXCHJ-UHFFFAOYSA-N
XLogP2.49
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 66614012) is N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cn2ccnc2cn1.
What is the InChIKey of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is KGPYDYAXVWXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-20(18-14-24-11-10-21-19(24)13-22-18)23-12-15-6-8-17(9-7-15)28(26,27)16-4-2-1-3-5-16/h1-11,13-14H,12H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 66614012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).