N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C19H20ClN5O3S2 — CID 15945418

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C19H20ClN5O3S2/c1-3-25(14-7-5-4-6-8-14)30(27,28)15-9-10-16(20)17(11-15)22-18(26)12-29-19-23-21-13-24(19)2/h4-11,13H,3,12H2,1-2H3,(H,22,26)
InChIKeyLGEBEDOYXCYCGF-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.41
Rot. Bonds8

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 15945418) has the molecular formula C19H20ClN5O3S2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID15945418
Molecular FormulaC19H20ClN5O3S2
Molecular Weight465.99 g/mol
Exact Mass465.07
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nncn2C)c1
InChIInChI=1S/C19H20ClN5O3S2/c1-3-25(14-7-5-4-6-8-14)30(27,28)15-9-10-16(20)17(11-15)22-18(26)12-29-19-23-21-13-24(19)2/h4-11,13H,3,12H2,1-2H3,(H,22,26)
InChIKeyLGEBEDOYXCYCGF-UHFFFAOYSA-N
XLogP3.41
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 15945418) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nncn2C)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LGEBEDOYXCYCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S2/c1-3-25(14-7-5-4-6-8-14)30(27,28)15-9-10-16(20)17(11-15)22-18(26)12-29-19-23-21-13-24(19)2/h4-11,13H,3,12H2,1-2H3,(H,22,26).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 465.99 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 15945418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).