N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C24H38N4O2S — CID 58561208

IUPACN-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C24H38N4O2S/c1-18(2)28-16-14-22(15-17-28)9-7-8-21-10-12-23(13-11-21)31(29,30)27(6)24-19(3)25-26(5)20(24)4/h10-13,18,22H,7-9,14-17H2,1-6H3
InChIKeyISHBHOMLOPIRLV-UHFFFAOYSA-N
MW446.66 g/mol
LogP4.31
Rot. Bonds8

About N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561208) has the molecular formula C24H38N4O2S and a molecular weight of 446.66 g/mol. Its IUPAC name is N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561208
Molecular FormulaC24H38N4O2S
Molecular Weight446.66 g/mol
Exact Mass446.27
IUPAC NameN-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C24H38N4O2S/c1-18(2)28-16-14-22(15-17-28)9-7-8-21-10-12-23(13-11-21)31(29,30)27(6)24-19(3)25-26(5)20(24)4/h10-13,18,22H,7-9,14-17H2,1-6H3
InChIKeyISHBHOMLOPIRLV-UHFFFAOYSA-N
XLogP4.31
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.66
LogP ≤ 54.31
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-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561208) is N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(C(C)C)CC2)cc1.
What is the InChIKey of N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is ISHBHOMLOPIRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2S/c1-18(2)28-16-14-22(15-17-28)9-7-8-21-10-12-23(13-11-21)31(29,30)27(6)24-19(3)25-26(5)20(24)4/h10-13,18,22H,7-9,14-17H2,1-6H3.
What are the key properties of N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
N-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 446.66 g/mol, XLogP of 4.31, 8 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-propan-2-ylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).