4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C23H28N4O3S — CID 58561266

IUPAC4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O3S/c1-17-23(18(2)26(3)24-17)25-31(28,29)22-9-7-20(8-10-22)21-6-4-5-19(15-21)16-27-11-13-30-14-12-27/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyPQJSNWAUFVVLKB-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.34
Rot. Bonds6

About 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561266) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561266
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H28N4O3S/c1-17-23(18(2)26(3)24-17)25-31(28,29)22-9-7-20(8-10-22)21-6-4-5-19(15-21)16-27-11-13-30-14-12-27/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyPQJSNWAUFVVLKB-UHFFFAOYSA-N
XLogP3.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9156811, Ddd88558
CID 57402327
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
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
US9156811, Ddd100876
CID 46179111
US9156811, Ddd100806
CID 46179114

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561266) is 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is PQJSNWAUFVVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-17-23(18(2)26(3)24-17)25-31(28,29)22-9-7-20(8-10-22)21-6-4-5-19(15-21)16-27-11-13-30-14-12-27/h4-10,15,25H,11-14,16H2,1-3H3.
What are the key properties of 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 440.57 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(morpholin-4-ylmethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).