N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide

C11H13N5O3S — CID 60983716

IUPACN-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C11H13N5O3S/c1-8(17)15-9-2-4-10(5-3-9)20(18,19)14-6-11-12-7-13-16-11/h2-5,7,14H,6H2,1H3,(H,15,17)(H,12,13,16)
InChIKeyGIGNUHITTLKZAE-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.24
Rot. Bonds5

About N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide

N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide (PubChem CID 60983716) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
PubChem CID60983716
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC NameN-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C11H13N5O3S/c1-8(17)15-9-2-4-10(5-3-9)20(18,19)14-6-11-12-7-13-16-11/h2-5,7,14H,6H2,1H3,(H,15,17)(H,12,13,16)
InChIKeyGIGNUHITTLKZAE-UHFFFAOYSA-N
XLogP0.24
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzoate
CID 60983083
4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)benzamide
CID 54883543
4-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64531603
4-chloro-3-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013274
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
3-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883492
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
methyl 2-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)acetate
CID 61456841
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide (CID 60983716) is N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2ncn[nH]2)cc1.
What is the InChIKey of N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
The InChIKey is GIGNUHITTLKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-8(17)15-9-2-4-10(5-3-9)20(18,19)14-6-11-12-7-13-16-11/h2-5,7,14H,6H2,1H3,(H,15,17)(H,12,13,16).
What are the key properties of N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide?
N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide has a molecular weight of 295.32 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60983716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).