N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide

C18H26N4O2S — CID 92624493

IUPACN,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C18H26N4O2S/c1-14-4-6-17(7-5-14)25(23,24)21(2)13-16-12-18(20-22(16)3)15-8-10-19-11-9-15/h4-7,12,15,19H,8-11,13H2,1-3H3
InChIKeyPPGUWQRVADRNIS-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.02
Rot. Bonds5

About N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide

N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 92624493) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide
PubChem CID92624493
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1
InChIInChI=1S/C18H26N4O2S/c1-14-4-6-17(7-5-14)25(23,24)21(2)13-16-12-18(20-22(16)3)15-8-10-19-11-9-15/h4-7,12,15,19H,8-11,13H2,1-3H3
InChIKeyPPGUWQRVADRNIS-UHFFFAOYSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
US9156811, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide (CID 92624493) is N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2cc(C3CCNCC3)nn2C)cc1.
What is the InChIKey of N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is PPGUWQRVADRNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14-4-6-17(7-5-14)25(23,24)21(2)13-16-12-18(20-22(16)3)15-8-10-19-11-9-15/h4-7,12,15,19H,8-11,13H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide?
N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 92624493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).