1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

C14H16N4O2S2 — CID 17376259

IUPAC1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1C
InChIInChI=1S/C14H16N4O2S2/c1-4-18-10(3)12(8-15-18)22(19,20)17-14-16-13-9(2)6-5-7-11(13)21-14/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyZIOZDNNLZISDRU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.93
Rot. Bonds4

About 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 17376259) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID17376259
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1C
InChIInChI=1S/C14H16N4O2S2/c1-4-18-10(3)12(8-15-18)22(19,20)17-14-16-13-9(2)6-5-7-11(13)21-14/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyZIOZDNNLZISDRU-UHFFFAOYSA-N
XLogP2.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (CID 17376259) is 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1C.
What is the InChIKey of 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZIOZDNNLZISDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-4-18-10(3)12(8-15-18)22(19,20)17-14-16-13-9(2)6-5-7-11(13)21-14/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17376259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).