N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide

C12H13N3O3S — CID 651514

IUPACN-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C12H13N3O3S/c1-9-7-15(8-13-9)19(17,18)12-5-3-11(4-6-12)14-10(2)16/h3-8H,1-2H3,(H,14,16)
InChIKeyJHDOGRIXTMLCNY-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.39
Rot. Bonds3

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

N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide (PubChem CID 651514) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide
PubChem CID651514
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cnc(C)c2)cc1
InChIInChI=1S/C12H13N3O3S/c1-9-7-15(8-13-9)19(17,18)12-5-3-11(4-6-12)14-10(2)16/h3-8H,1-2H3,(H,14,16)
InChIKeyJHDOGRIXTMLCNY-UHFFFAOYSA-N
XLogP1.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide (CID 651514) is N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cnc(C)c2)cc1.
What is the InChIKey of N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide?
The InChIKey is JHDOGRIXTMLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-7-15(8-13-9)19(17,18)12-5-3-11(4-6-12)14-10(2)16/h3-8H,1-2H3,(H,14,16).
What are the key properties of N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide has a molecular weight of 279.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylimidazol-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 651514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).