1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C17H20N6O4S2 — CID 19683690

IUPAC1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)c(C)n1
InChIInChI=1S/C17H20N6O4S2/c1-4-23-11-16(12(2)20-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-9-10-18-13(3)19-17/h5-11,21H,4H2,1-3H3,(H,18,19,22)
InChIKeyJIGUBLMJASZIRS-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.91
Rot. Bonds7

About 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 19683690) has the molecular formula C17H20N6O4S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID19683690
Molecular FormulaC17H20N6O4S2
Molecular Weight436.52 g/mol
Exact Mass436.10
IUPAC Name1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)c(C)n1
InChIInChI=1S/C17H20N6O4S2/c1-4-23-11-16(12(2)20-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-9-10-18-13(3)19-17/h5-11,21H,4H2,1-3H3,(H,18,19,22)
InChIKeyJIGUBLMJASZIRS-UHFFFAOYSA-N
XLogP1.91
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19683756
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
2,3,5,6-tetramethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683682
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
3,5-dimethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]-1-phenylpyrazole-4-sulfonamide
CID 19683694
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
1-ethyl-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-sulfonamide
CID 22773189
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
CID 27526282
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 19683690) is 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccnc(C)n3)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is JIGUBLMJASZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S2/c1-4-23-11-16(12(2)20-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-9-10-18-13(3)19-17/h5-11,21H,4H2,1-3H3,(H,18,19,22).
What are the key properties of 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 436.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19683690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).