N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide

C19H18ClN5O4S — CID 118724128

IUPACN-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H18ClN5O4S/c1-12(26)23-13-4-3-5-15(10-13)30(27,28)25-19-18(21-8-9-22-19)24-17-11-14(29-2)6-7-16(17)20/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGHTAHTHJUXYHBF-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.64
Rot. Bonds7

About N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide

N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 118724128) has the molecular formula C19H18ClN5O4S and a molecular weight of 447.90 g/mol. Its IUPAC name is N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID118724128
Molecular FormulaC19H18ClN5O4S
Molecular Weight447.90 g/mol
Exact Mass447.08
IUPAC NameN-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C19H18ClN5O4S/c1-12(26)23-13-4-3-5-15(10-13)30(27,28)25-19-18(21-8-9-22-19)24-17-11-14(29-2)6-7-16(17)20/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGHTAHTHJUXYHBF-UHFFFAOYSA-N
XLogP3.64
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide (CID 118724128) is N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide is COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is GHTAHTHJUXYHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S/c1-12(26)23-13-4-3-5-15(10-13)30(27,28)25-19-18(21-8-9-22-19)24-17-11-14(29-2)6-7-16(17)20/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide?
N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 447.90 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2-chloro-5-methoxyanilino)pyrazin-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 118724128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).