N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide

C19H18N4O4S — CID 1078905

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-4-3-5-14(12-13)18(24)22-15-6-8-16(9-7-15)28(25,26)23-17-19(27-2)21-11-10-20-17/h3-12H,1-2H3,(H,20,23)(H,22,24)
InChIKeyCYMZRNVWEXUOOD-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.85
Rot. Bonds6

About N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide (PubChem CID 1078905) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
PubChem CID1078905
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-4-3-5-14(12-13)18(24)22-15-6-8-16(9-7-15)28(25,26)23-17-19(27-2)21-11-10-20-17/h3-12H,1-2H3,(H,20,23)(H,22,24)
InChIKeyCYMZRNVWEXUOOD-UHFFFAOYSA-N
XLogP2.85
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide (CID 1078905) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
The InChIKey is CYMZRNVWEXUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-4-3-5-14(12-13)18(24)22-15-6-8-16(9-7-15)28(25,26)23-17-19(27-2)21-11-10-20-17/h3-12H,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide has a molecular weight of 398.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 1078905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).