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

C19H25Cl2N5O3S — CID 134145398

IUPAC4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnc2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C19H25Cl2N5O3S/c1-13-2-7-26(8-3-13)19(27)17(4-6-25-9-5-23-12-25)24-30(28,29)14-10-15(20)18(22)16(21)11-14/h5,9-13,17,24H,2-4,6-8,22H2,1H3
InChIKeyTXCJGZQGRIXSLW-UHFFFAOYSA-N
MW474.41 g/mol
LogP2.77
Rot. Bonds7

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

4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 134145398) has the molecular formula C19H25Cl2N5O3S and a molecular weight of 474.41 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
PubChem CID134145398
Molecular FormulaC19H25Cl2N5O3S
Molecular Weight474.41 g/mol
Exact Mass473.11
IUPAC Name4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnc2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C19H25Cl2N5O3S/c1-13-2-7-26(8-3-13)19(27)17(4-6-25-9-5-23-12-25)24-30(28,29)14-10-15(20)18(22)16(21)11-14/h5,9-13,17,24H,2-4,6-8,22H2,1H3
InChIKeyTXCJGZQGRIXSLW-UHFFFAOYSA-N
XLogP2.77
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[4-(2-cyanoimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509026
4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509147
4-Amino-3,5-dichloro-N-(1-(4-methylpiperidin-1-yl)-4-(2-nitro-1H-imidazol-1-yl)-1-oxobutan-2-yl)benzenesulfonamide
CID 58509350
4-amino-3,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 134132126
1-(2-chloro-5-nitrophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide
CID 3599121
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-pyrrol-1-ylbutan-2-yl]benzenesulfonamide
CID 58508981
1-(2,5-Dichloro-benzenesulfonyl)-piperidine-4-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6491886
N-(3-chlorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085539
N-(4-Chlorophenyl)-1-{[1-(propan-2-YL)-1H-imidazol-4-YL]sulfonyl}piperidine-4-carboxamide
CID 53085540
N-(3-Chloro-4-fluorophenyl)-1-{[1-(propan-2-YL)-1H-imidazol-4-YL]sulfonyl}piperidine-4-carboxamide
CID 53085594
4-amino-3,5-dichloro-N-[(2S)-1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 134138379
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide
CID 134147604

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (CID 134145398) is 4-amino-3,5-dichloro-N-[4-imidazol-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-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2ccnc2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
The InChIKey is TXCJGZQGRIXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N5O3S/c1-13-2-7-26(8-3-13)19(27)17(4-6-25-9-5-23-12-25)24-30(28,29)14-10-15(20)18(22)16(21)11-14/h5,9-13,17,24H,2-4,6-8,22H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[4-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 474.41 g/mol, XLogP of 2.77, 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-imidazol-1-yl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 134145398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).