1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide

C17H20N4O2S2 — CID 122286063

IUPAC1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c1C
InChIInChI=1S/C17H20N4O2S2/c1-5-21-12(3)17(11(2)19-21)25(22,23)20-15-8-6-7-14(9-15)16-10-24-13(4)18-16/h6-10,20H,5H2,1-4H3
InChIKeyLJJXGSRQOPLHLY-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.75
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide (PubChem CID 122286063) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
PubChem CID122286063
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c1C
InChIInChI=1S/C17H20N4O2S2/c1-5-21-12(3)17(11(2)19-21)25(22,23)20-15-8-6-7-14(9-15)16-10-24-13(4)18-16/h6-10,20H,5H2,1-4H3
InChIKeyLJJXGSRQOPLHLY-UHFFFAOYSA-N
XLogP3.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3,5-dimethyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122284373
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
4-fluoro-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 24656453
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
1-(3,5-difluorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 122286051
3-[4-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]phenyl]propanoate
CID 8002269
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053
1-ethyl-5-fluoro-N-(3-hydroxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 119056271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide (CID 122286063) is 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is LJJXGSRQOPLHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-5-21-12(3)17(11(2)19-21)25(22,23)20-15-8-6-7-14(9-15)16-10-24-13(4)18-16/h6-10,20H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 376.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122286063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).