N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide

C16H22N4O3S — CID 127878923

IUPACN,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
SMILESCN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C16H22N4O3S/c1-18(24(21,22)16-7-8-17-19(16)2)13-14-5-3-4-6-15(14)20-9-11-23-12-10-20/h3-8H,9-13H2,1-2H3
InChIKeyDACBNNMHMINXBU-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.08
Rot. Bonds5

About N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide

N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide (PubChem CID 127878923) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
PubChem CID127878923
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
SMILESCN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C16H22N4O3S/c1-18(24(21,22)16-7-8-17-19(16)2)13-14-5-3-4-6-15(14)20-9-11-23-12-10-20/h3-8H,9-13H2,1-2H3
InChIKeyDACBNNMHMINXBU-UHFFFAOYSA-N
XLogP1.08
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 104709984
N,8-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]quinoline-5-sulfonamide
CID 112812647
methyl 3-[methyl-[(2-morpholin-4-ylphenyl)methyl]sulfamoyl]benzoate
CID 31767085
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 55515605
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 34875886
N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
CID 33039061
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CID 17491426

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide (CID 127878923) is N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide is CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide?
The InChIKey is DACBNNMHMINXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-18(24(21,22)16-7-8-17-19(16)2)13-14-5-3-4-6-15(14)20-9-11-23-12-10-20/h3-8H,9-13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide?
N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 127878923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).