1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide

C24H30N4O3S — CID 56836673

IUPAC1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1
InChIInChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3
InChIKeyFMXDGIFSBYAIOK-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.56
Rot. Bonds9

About 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide

1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 56836673) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID56836673
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC Name1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1
InChIInChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3
InChIKeyFMXDGIFSBYAIOK-UHFFFAOYSA-N
XLogP2.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide (CID 56836673) is 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1.
What is the InChIKey of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FMXDGIFSBYAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-27-19-24(17-25-27)32(29,30)26-16-21-8-5-9-22(15-21)23(14-20-6-3-2-4-7-20)18-28-10-12-31-13-11-28/h2-9,15,17,19,23,26H,10-14,16,18H2,1H3.
What are the key properties of 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide?
1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 56836673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).