N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C19H28N4O3S — CID 24791849

IUPACN-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(Cc3cn(C)nc3C)C2)cc1
InChIInChI=1S/C19H28N4O3S/c1-15-17(13-22(2)21-15)14-23-10-4-5-16(12-23)11-20-27(24,25)19-8-6-18(26-3)7-9-19/h6-9,13,16,20H,4-5,10-12,14H2,1-3H3
InChIKeyMSRNWINWQMZBNH-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.93
Rot. Bonds7

About N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 24791849) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID24791849
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCN(Cc3cn(C)nc3C)C2)cc1
InChIInChI=1S/C19H28N4O3S/c1-15-17(13-22(2)21-15)14-23-10-4-5-16(12-23)11-20-27(24,25)19-8-6-18(26-3)7-9-19/h6-9,13,16,20H,4-5,10-12,14H2,1-3H3
InChIKeyMSRNWINWQMZBNH-UHFFFAOYSA-N
XLogP1.93
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 24791849) is N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCN(Cc3cn(C)nc3C)C2)cc1.
What is the InChIKey of N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is MSRNWINWQMZBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15-17(13-22(2)21-15)14-23-10-4-5-16(12-23)11-20-27(24,25)19-8-6-18(26-3)7-9-19/h6-9,13,16,20H,4-5,10-12,14H2,1-3H3.
What are the key properties of N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 392.53 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24791849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).