4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

C20H24Cl2N6O3S — CID 58509038

IUPAC4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2C#N)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3
InChIKeyAJOHGFSOOMQDMR-UHFFFAOYSA-N
MW499.42 g/mol
LogP2.64
Rot. Bonds7

About 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 58509038) has the molecular formula C20H24Cl2N6O3S and a molecular weight of 499.42 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID58509038
Molecular FormulaC20H24Cl2N6O3S
Molecular Weight499.42 g/mol
Exact Mass498.10
IUPAC Name4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2C#N)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3
InChIKeyAJOHGFSOOMQDMR-UHFFFAOYSA-N
XLogP2.64
TPSA134.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (CID 58509038) is 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2nccc2C#N)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is AJOHGFSOOMQDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6O3S/c1-13-3-7-27(8-4-13)20(29)18(5-9-28-14(12-23)2-6-25-28)26-32(30,31)15-10-16(21)19(24)17(22)11-15/h2,6,10-11,13,18,26H,3-5,7-9,24H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 499.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[4-(5-cyanopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58509038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).