5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide

C15H14BrN3O3S2 — CID 989263

IUPAC5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C15H14BrN3O3S2/c1-10-14(17-24(21,22)13-9-8-12(16)23-13)15(20)19(18(10)2)11-6-4-3-5-7-11/h3-9,17H,1-2H3
InChIKeyLEZZZYXWWOQIFT-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.11
Rot. Bonds4

About 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide

5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide (PubChem CID 989263) has the molecular formula C15H14BrN3O3S2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide
PubChem CID989263
Molecular FormulaC15H14BrN3O3S2
Molecular Weight428.33 g/mol
Exact Mass426.97
IUPAC Name5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C15H14BrN3O3S2/c1-10-14(17-24(21,22)13-9-8-12(16)23-13)15(20)19(18(10)2)11-6-4-3-5-7-11/h3-9,17H,1-2H3
InChIKeyLEZZZYXWWOQIFT-UHFFFAOYSA-N
XLogP3.11
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide (CID 989263) is 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide is Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is LEZZZYXWWOQIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S2/c1-10-14(17-24(21,22)13-9-8-12(16)23-13)15(20)19(18(10)2)11-6-4-3-5-7-11/h3-9,17H,1-2H3.
What are the key properties of 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide?
5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 428.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 989263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).