1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C17H20N6O4S2 — CID 19683642

IUPAC1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C
InChIInChI=1S/C17H20N6O4S2/c1-4-23-13(3)16(11-19-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-18-10-9-12(2)20-17/h5-11,21H,4H2,1-3H3,(H,18,20,22)
InChIKeyAXDBADWPQRNADR-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.91
Rot. Bonds7

About 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 19683642) has the molecular formula C17H20N6O4S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID19683642
Molecular FormulaC17H20N6O4S2
Molecular Weight436.52 g/mol
Exact Mass436.10
IUPAC Name1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C
InChIInChI=1S/C17H20N6O4S2/c1-4-23-13(3)16(11-19-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-18-10-9-12(2)20-17/h5-11,21H,4H2,1-3H3,(H,18,20,22)
InChIKeyAXDBADWPQRNADR-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

4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 42283702
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 46982035
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 19683642) is 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is AXDBADWPQRNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S2/c1-4-23-13(3)16(11-19-23)29(26,27)21-14-5-7-15(8-6-14)28(24,25)22-17-18-10-9-12(2)20-17/h5-11,21H,4H2,1-3H3,(H,18,20,22).
What are the key properties of 1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-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-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19683642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).