N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide

C13H15ClN4O4S — CID 19991855

IUPACN-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCc1nn(C(=O)NS(=O)(=O)c2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C13H15ClN4O4S/c1-3-6-11-15-18(13(20)17(11)2)12(19)16-23(21,22)10-8-5-4-7-9(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyMSFVYYBGXJFMFO-UHFFFAOYSA-N
MW358.81 g/mol
LogP1.13
Rot. Bonds4

About N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide

N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide (PubChem CID 19991855) has the molecular formula C13H15ClN4O4S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
PubChem CID19991855
Molecular FormulaC13H15ClN4O4S
Molecular Weight358.81 g/mol
Exact Mass358.05
IUPAC NameN-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide
SMILESCCCc1nn(C(=O)NS(=O)(=O)c2ccccc2Cl)c(=O)n1C
InChIInChI=1S/C13H15ClN4O4S/c1-3-6-11-15-18(13(20)17(11)2)12(19)16-23(21,22)10-8-5-4-7-9(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19)
InChIKeyMSFVYYBGXJFMFO-UHFFFAOYSA-N
XLogP1.13
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide (CID 19991855) is N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide is CCCc1nn(C(=O)NS(=O)(=O)c2ccccc2Cl)c(=O)n1C.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
The InChIKey is MSFVYYBGXJFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O4S/c1-3-6-11-15-18(13(20)17(11)2)12(19)16-23(21,22)10-8-5-4-7-9(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,19).
What are the key properties of N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide?
N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide has a molecular weight of 358.81 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-4-methyl-5-oxo-3-propyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 19991855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).