N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C22H34N4O2S — CID 58561235

IUPACN-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1
InChIInChI=1S/C22H34N4O2S/c1-17-22(18(2)25(4)23-17)26(5)29(27,28)21-11-9-19(10-12-21)7-6-8-20-13-15-24(3)16-14-20/h9-12,20H,6-8,13-16H2,1-5H3
InChIKeyMUYWJBCCUVIPEV-UHFFFAOYSA-N
MW418.61 g/mol
LogP3.53
Rot. Bonds7

About N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561235) has the molecular formula C22H34N4O2S and a molecular weight of 418.61 g/mol. Its IUPAC name is N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561235
Molecular FormulaC22H34N4O2S
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC NameN-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1
InChIInChI=1S/C22H34N4O2S/c1-17-22(18(2)25(4)23-17)26(5)29(27,28)21-11-9-19(10-12-21)7-6-8-20-13-15-24(3)16-14-20/h9-12,20H,6-8,13-16H2,1-5H3
InChIKeyMUYWJBCCUVIPEV-UHFFFAOYSA-N
XLogP3.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561235) is N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is MUYWJBCCUVIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2S/c1-17-22(18(2)25(4)23-17)26(5)29(27,28)21-11-9-19(10-12-21)7-6-8-20-13-15-24(3)16-14-20/h9-12,20H,6-8,13-16H2,1-5H3.
What are the key properties of N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 418.61 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).