2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone

C23H33N3O3S — CID 159724602

IUPAC2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone
SMILESCC(C1CCCCC1)n1nc(C(C)(C)C)cc1C(=O)CS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C23H33N3O3S/c1-16(17-9-6-5-7-10-17)26-20(14-22(25-26)23(2,3)4)21(27)15-30(28,29)19-12-8-11-18(24)13-19/h8,11-14,16-17H,5-7,9-10,15,24H2,1-4H3
InChIKeyNALYZNHZZULTQB-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.56
Rot. Bonds6

About 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone

2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone (PubChem CID 159724602) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone
PubChem CID159724602
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone
SMILESCC(C1CCCCC1)n1nc(C(C)(C)C)cc1C(=O)CS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C23H33N3O3S/c1-16(17-9-6-5-7-10-17)26-20(14-22(25-26)23(2,3)4)21(27)15-30(28,29)19-12-8-11-18(24)13-19/h8,11-14,16-17H,5-7,9-10,15,24H2,1-4H3
InChIKeyNALYZNHZZULTQB-UHFFFAOYSA-N
XLogP4.56
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)sulfonyl-1-[6-tert-butyl-2-(1-phenylethyl)-3-pyridinyl]ethanone
CID 160612987
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-2-[3-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]cyclobutyl]ethanone
CID 162016540
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252002
2-(4-aminophenyl)sulfonyl-1-(6-tert-butyl-2-cyclopentyl-3-pyridinyl)ethanone
CID 160564902
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-(naphthalen-1-ylmethyl)pyrazole-5-carboxamide
CID 121253120
2-(benzenesulfonyl)-1-[3-tert-butyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyrazol-5-yl]ethanone
CID 160679078
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
1-(3-aminophenyl)-3-(1-cyclohexylethyl)urea
CID 55069368
3-(2-fluoropropylsulfonyl)aniline
CID 84682679
2-(5-amino-3-tert-butylpyrazol-1-yl)butanoic acid
CID 102354188
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone?
The IUPAC name of 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone (CID 159724602) is 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone is CC(C1CCCCC1)n1nc(C(C)(C)C)cc1C(=O)CS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone?
The InChIKey is NALYZNHZZULTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-16(17-9-6-5-7-10-17)26-20(14-22(25-26)23(2,3)4)21(27)15-30(28,29)19-12-8-11-18(24)13-19/h8,11-14,16-17H,5-7,9-10,15,24H2,1-4H3.
What are the key properties of 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone?
2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone has a molecular weight of 431.60 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfonyl-1-[3-tert-butyl-1-(1-cyclohexylethyl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 159724602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).