4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C12H13N3O3S — CID 64529323

IUPAC4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C12H13N3O3S/c1-9(16)10-2-4-11(5-3-10)19(17,18)15-8-12-13-6-7-14-12/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyTUTNJPDOHAXZBD-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.09
Rot. Bonds5

About 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 64529323) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID64529323
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C12H13N3O3S/c1-9(16)10-2-4-11(5-3-10)19(17,18)15-8-12-13-6-7-14-12/h2-7,15H,8H2,1H3,(H,13,14)
InChIKeyTUTNJPDOHAXZBD-UHFFFAOYSA-N
XLogP1.09
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64519588
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
4-(1H-imidazol-2-ylmethylsulfamoyl)-3-methoxybenzoic acid
CID 102694997
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzenesulfonamide
CID 64532316
N-(1H-imidazol-2-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 64531322
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642
4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 110731123
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 64529323) is 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ncc[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is TUTNJPDOHAXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9(16)10-2-4-11(5-3-10)19(17,18)15-8-12-13-6-7-14-12/h2-7,15H,8H2,1H3,(H,13,14).
What are the key properties of 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 64529323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).