1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide

C16H22N4O3S — CID 16673999

IUPAC1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O3S/c1-13-16(12-19(2)17-13)24(21,22)18-15-5-3-14(4-6-15)11-20-7-9-23-10-8-20/h3-6,12,18H,7-11H2,1-2H3
InChIKeyBKJFONJWHMMYHL-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.36
Rot. Bonds5

About 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide

1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 16673999) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID16673999
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C16H22N4O3S/c1-13-16(12-19(2)17-13)24(21,22)18-15-5-3-14(4-6-15)11-20-7-9-23-10-8-20/h3-6,12,18H,7-11H2,1-2H3
InChIKeyBKJFONJWHMMYHL-UHFFFAOYSA-N
XLogP1.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[3-(1-morpholin-4-yl-3-phenylpropan-2-yl)phenyl]methyl]pyrazole-4-sulfonamide
CID 56836673
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
4-methyl-N-[[3-(4-methylphenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-3-morpholin-4-ylsulfonylaniline
CID 90656820
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307756
1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 2813507
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
1-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)-1H-pyrazole-4-sulfonamide
CID 71806633
N-[2-(3-phenylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 155536167
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 172434057
N-benzyl-1,3-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 19615262
US9156811, Ddd73506
CID 117905411

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide (CID 16673999) is 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is BKJFONJWHMMYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-13-16(12-19(2)17-13)24(21,22)18-15-5-3-14(4-6-15)11-20-7-9-23-10-8-20/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 16673999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).