4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide

C18H19N5O3S — CID 99788218

IUPAC4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(24)14-7-9-17(10-8-14)27(25,26)21-15-5-4-6-16(11-15)23-12-19-18(20-23)22(2)3/h4-12,21H,1-3H3
InChIKeyGEJJWHMSXLPHOV-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.34
Rot. Bonds6

About 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide

4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 99788218) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
PubChem CID99788218
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13(24)14-7-9-17(10-8-14)27(25,26)21-15-5-4-6-16(11-15)23-12-19-18(20-23)22(2)3/h4-12,21H,1-3H3
InChIKeyGEJJWHMSXLPHOV-UHFFFAOYSA-N
XLogP2.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-6-methylquinoline-8-sulfonamide
CID 167989955
4-acetyl-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzenesulfonamide
CID 40664221
5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53056717
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
4-acetyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 7151307
3-[(4-acetylphenyl)sulfonylamino]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 55838147
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide (CID 99788218) is 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is GEJJWHMSXLPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13(24)14-7-9-17(10-8-14)27(25,26)21-15-5-4-6-16(11-15)23-12-19-18(20-23)22(2)3/h4-12,21H,1-3H3.
What are the key properties of 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide?
4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 99788218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).