4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide

C18H24Cl2N6O3S — CID 134147604

IUPAC4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnn2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N6O3S/c1-12-2-6-25(7-3-12)18(27)16(4-8-26-9-5-22-24-26)23-30(28,29)13-10-14(19)17(21)15(20)11-13/h5,9-12,16,23H,2-4,6-8,21H2,1H3
InChIKeyJIGFQRQBGRUWAJ-UHFFFAOYSA-N
MW475.40 g/mol
LogP2.16
Rot. Bonds7

About 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide

4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide (PubChem CID 134147604) has the molecular formula C18H24Cl2N6O3S and a molecular weight of 475.40 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide
PubChem CID134147604
Molecular FormulaC18H24Cl2N6O3S
Molecular Weight475.40 g/mol
Exact Mass474.10
IUPAC Name4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)C(CCn2ccnn2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N6O3S/c1-12-2-6-25(7-3-12)18(27)16(4-8-26-9-5-22-24-26)23-30(28,29)13-10-14(19)17(21)15(20)11-13/h5,9-12,16,23H,2-4,6-8,21H2,1H3
InChIKeyJIGFQRQBGRUWAJ-UHFFFAOYSA-N
XLogP2.16
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(5-aminopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3,5-dichlorobenzenesulfonamide
CID 89143030
4-amino-3,5-dichloro-N-[4-[2-(hydroxyamino)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 89142938
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509350
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-N-[4-amino-4-(1H-imidazol-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-3,5-dichlorobenzenesulfonamide
CID 67764391
N-[1-[(8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-(2-chloroimidazol-1-yl)-1-oxobutan-2-yl]-4-amino-3,5-dichlorobenzenesulfonamide
CID 89143070
4-amino-3,5-dichloro-N-[3-(3-chloroanilino)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 58504916
4-amino-3,5-dibromo-N-[1-(4-methylpiperidin-1-yl)-4-(2-nitroimidazol-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509303
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 58509115
2,6-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 58509135
2-[(4-amino-3,5-dichlorophenyl)sulfanylamino]-4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 143877504
N-[4-(5-chloropyrazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-6-sulfonamide
CID 66988688

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide (CID 134147604) is 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2ccnn2)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide?
The InChIKey is JIGFQRQBGRUWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N6O3S/c1-12-2-6-25(7-3-12)18(27)16(4-8-26-9-5-22-24-26)23-30(28,29)13-10-14(19)17(21)15(20)11-13/h5,9-12,16,23H,2-4,6-8,21H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide?
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide has a molecular weight of 475.40 g/mol, XLogP of 2.16, 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-[1-(4-methylpiperidin-1-yl)-1-oxo-4-(triazol-1-yl)butan-2-yl]benzenesulfonamide is sourced from PubChem (CID 134147604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).