N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C11H12ClN5O3S — CID 112521121

IUPACN-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C11H12ClN5O3S/c1-21(19,20)15-10-6-17(16-14-10)7-11(18)13-9-4-2-3-8(12)5-9/h2-6,15H,7H2,1H3,(H,13,18)
InChIKeyJNRIENNHCXKCMZ-UHFFFAOYSA-N
MW329.77 g/mol
LogP0.94
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112521121) has the molecular formula C11H12ClN5O3S and a molecular weight of 329.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112521121
Molecular FormulaC11H12ClN5O3S
Molecular Weight329.77 g/mol
Exact Mass329.03
IUPAC NameN-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCS(=O)(=O)Nc1cn(CC(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C11H12ClN5O3S/c1-21(19,20)15-10-6-17(16-14-10)7-11(18)13-9-4-2-3-8(12)5-9/h2-6,15H,7H2,1H3,(H,13,18)
InChIKeyJNRIENNHCXKCMZ-UHFFFAOYSA-N
XLogP0.94
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-(1,3-benzoxazol-2-yl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112528206
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521423

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112521121) is N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CS(=O)(=O)Nc1cn(CC(=O)Nc2cccc(Cl)c2)nn1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is JNRIENNHCXKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O3S/c1-21(19,20)15-10-6-17(16-14-10)7-11(18)13-9-4-2-3-8(12)5-9/h2-6,15H,7H2,1H3,(H,13,18).
What are the key properties of N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 329.77 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112521121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).