N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C11H11Cl2N5O3S — CID 112523267

IUPACN-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H11Cl2N5O3S/c1-22(20,21)16-10-5-18(17-15-10)6-11(19)14-9-4-7(12)2-3-8(9)13/h2-5,16H,6H2,1H3,(H,14,19)
InChIKeyCVZRADAXYANDTB-UHFFFAOYSA-N
MW364.21 g/mol
LogP1.60
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112523267) has the molecular formula C11H11Cl2N5O3S and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112523267
Molecular FormulaC11H11Cl2N5O3S
Molecular Weight364.21 g/mol
Exact Mass363.00
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C11H11Cl2N5O3S/c1-22(20,21)16-10-5-18(17-15-10)6-11(19)14-9-4-7(12)2-3-8(9)13/h2-5,16H,6H2,1H3,(H,14,19)
InChIKeyCVZRADAXYANDTB-UHFFFAOYSA-N
XLogP1.60
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521423
N-(2,5-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
CID 26086117
N-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112520800
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-(4-aminopyrazol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 43382443
N-(1,3-benzoxazol-2-yl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112528206
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-[4-(1-aminoethyl)triazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 114419794

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112523267) is N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CS(=O)(=O)Nc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is CVZRADAXYANDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O3S/c1-22(20,21)16-10-5-18(17-15-10)6-11(19)14-9-4-7(12)2-3-8(9)13/h2-5,16H,6H2,1H3,(H,14,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 364.21 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112523267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).