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

C19H24Cl3N5O3S — CID 58509301

IUPAC4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C19H24Cl3N5O3S/c1-12-3-7-26(8-4-12)19(28)16(5-9-27-17(22)2-6-24-27)25-31(29,30)13-10-14(20)18(23)15(21)11-13/h2,6,10-12,16,25H,3-5,7-9,23H2,1H3
InChIKeyHXAHSXQTFSWLMO-UHFFFAOYSA-N
MW508.86 g/mol
LogP3.42
Rot. Bonds7

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

4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 58509301) has the molecular formula C19H24Cl3N5O3S and a molecular weight of 508.86 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID58509301
Molecular FormulaC19H24Cl3N5O3S
Molecular Weight508.86 g/mol
Exact Mass507.07
IUPAC Name4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C19H24Cl3N5O3S/c1-12-3-7-26(8-4-12)19(28)16(5-9-27-17(22)2-6-24-27)25-31(29,30)13-10-14(20)18(23)15(21)11-13/h2,6,10-12,16,25H,3-5,7-9,23H2,1H3
InChIKeyHXAHSXQTFSWLMO-UHFFFAOYSA-N
XLogP3.42
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-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-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (CID 58509301) is 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-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-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2nccc2Cl)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is HXAHSXQTFSWLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl3N5O3S/c1-12-3-7-26(8-4-12)19(28)16(5-9-27-17(22)2-6-24-27)25-31(29,30)13-10-14(20)18(23)15(21)11-13/h2,6,10-12,16,25H,3-5,7-9,23H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 508.86 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58509301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).