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

C16H20N4O4S — CID 71806633

IUPAC1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H20N4O4S/c1-19-12-15(11-17-19)25(22,23)18-14-4-2-13(3-5-14)10-16(21)20-6-8-24-9-7-20/h2-5,11-12,18H,6-10H2,1H3
InChIKeyJYFQWOIVARETMP-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.62
Rot. Bonds5

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

1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 71806633) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID71806633
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C16H20N4O4S/c1-19-12-15(11-17-19)25(22,23)18-14-4-2-13(3-5-14)10-16(21)20-6-8-24-9-7-20/h2-5,11-12,18H,6-10H2,1H3
InChIKeyJYFQWOIVARETMP-UHFFFAOYSA-N
XLogP0.62
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656828
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
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2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
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CID 72875587
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 4848377
N-[1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806503
methyl 7-(1-methyl-1H-pyrazole-4-sulfonamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide (CID 71806633) is 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cn1.
What is the InChIKey of 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is JYFQWOIVARETMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-19-12-15(11-17-19)25(22,23)18-14-4-2-13(3-5-14)10-16(21)20-6-8-24-9-7-20/h2-5,11-12,18H,6-10H2,1H3.
What are the key properties of 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide?
1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).