4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide

C17H25N5O2S — CID 89231815

IUPAC4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ncc(CN2CCC(N(C)S(=O)(=O)c3ccc(N)cc3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2S/c1-13-19-11-15(20-13)12-22-9-7-16(8-10-22)21(2)25(23,24)17-5-3-14(18)4-6-17/h3-6,11,16H,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyQXGIDLAFWNFLFZ-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.59
Rot. Bonds5

About 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide

4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 89231815) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID89231815
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCc1ncc(CN2CCC(N(C)S(=O)(=O)c3ccc(N)cc3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2S/c1-13-19-11-15(20-13)12-22-9-7-16(8-10-22)21(2)25(23,24)17-5-3-14(18)4-6-17/h3-6,11,16H,7-10,12,18H2,1-2H3,(H,19,20)
InChIKeyQXGIDLAFWNFLFZ-UHFFFAOYSA-N
XLogP1.59
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide (CID 89231815) is 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide is Cc1ncc(CN2CCC(N(C)S(=O)(=O)c3ccc(N)cc3)CC2)[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is QXGIDLAFWNFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-13-19-11-15(20-13)12-22-9-7-16(8-10-22)21(2)25(23,24)17-5-3-14(18)4-6-17/h3-6,11,16H,7-10,12,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide?
4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 89231815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).