1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide

C15H20N4O5S2 — CID 22203328

IUPAC1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N4O5S2/c1-12-15(11-18(2)16-12)25(20,21)17-13-4-3-5-14(10-13)26(22,23)19-6-8-24-9-7-19/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyZIEBJWQFMNJOPT-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.55
Rot. Bonds5

About 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide (PubChem CID 22203328) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
PubChem CID22203328
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC Name1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N4O5S2/c1-12-15(11-18(2)16-12)25(20,21)17-13-4-3-5-14(10-13)26(22,23)19-6-8-24-9-7-19/h3-5,10-11,17H,6-9H2,1-2H3
InChIKeyZIEBJWQFMNJOPT-UHFFFAOYSA-N
XLogP0.55
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide (CID 22203328) is 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide?
The InChIKey is ZIEBJWQFMNJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-12-15(11-18(2)16-12)25(20,21)17-13-4-3-5-14(10-13)26(22,23)19-6-8-24-9-7-19/h3-5,10-11,17H,6-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide has a molecular weight of 400.48 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 22203328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).