N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

C21H32N4O3S — CID 24793123

IUPACN-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CN2CCCC(CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C21H32N4O3S/c1-5-25-17(3)21(16(2)23-25)15-24-12-6-7-18(14-24)13-22-29(26,27)20-10-8-19(28-4)9-11-20/h8-11,18,22H,5-7,12-15H2,1-4H3
InChIKeyBKTMITNMUDLVPR-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.72
Rot. Bonds8

About N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide

N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 24793123) has the molecular formula C21H32N4O3S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID24793123
Molecular FormulaC21H32N4O3S
Molecular Weight420.58 g/mol
Exact Mass420.22
IUPAC NameN-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CN2CCCC(CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C21H32N4O3S/c1-5-25-17(3)21(16(2)23-25)15-24-12-6-7-18(14-24)13-22-29(26,27)20-10-8-19(28-4)9-11-20/h8-11,18,22H,5-7,12-15H2,1-4H3
InChIKeyBKTMITNMUDLVPR-UHFFFAOYSA-N
XLogP2.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide (CID 24793123) is N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is CCn1nc(C)c(CN2CCCC(CNS(=O)(=O)c3ccc(OC)cc3)C2)c1C.
What is the InChIKey of N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is BKTMITNMUDLVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S/c1-5-25-17(3)21(16(2)23-25)15-24-12-6-7-18(14-24)13-22-29(26,27)20-10-8-19(28-4)9-11-20/h8-11,18,22H,5-7,12-15H2,1-4H3.
What are the key properties of N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide?
N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 420.58 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24793123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).