N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide

C11H12N4O3S — CID 110868042

IUPACN-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C11H12N4O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)15-7-6-11(12)14-15/h2-7H,1H3,(H2,12,14)(H,13,16)
InChIKeyBJAYJGZRYUZCNK-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.66
Rot. Bonds3

About N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide

N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide (PubChem CID 110868042) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide
PubChem CID110868042
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C11H12N4O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)15-7-6-11(12)14-15/h2-7H,1H3,(H2,12,14)(H,13,16)
InChIKeyBJAYJGZRYUZCNK-UHFFFAOYSA-N
XLogP0.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide
CID 46335425
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CID 117038027
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-[3-(3-aminopyrazol-1-yl)propylsulfanyl]phenyl]acetamide
CID 63310941
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide (CID 110868042) is N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2ccc(N)n2)cc1.
What is the InChIKey of N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide?
The InChIKey is BJAYJGZRYUZCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-8(16)13-9-2-4-10(5-3-9)19(17,18)15-7-6-11(12)14-15/h2-7H,1H3,(H2,12,14)(H,13,16).
What are the key properties of N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide?
N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminopyrazol-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 110868042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).