N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide

C11H12N4O2S2 — CID 75521891

IUPACN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)c(C)s1
InChIInChI=1S/C11H12N4O2S2/c1-6-4-10(8(3)18-6)19(16,17)15-11-9(5-12)7(2)13-14-11/h4H,1-3H3,(H2,13,14,15)
InChIKeyPDZMXDTUMCDRBZ-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.07
Rot. Bonds3

About N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 75521891) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID75521891
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)c(C)s1
InChIInChI=1S/C11H12N4O2S2/c1-6-4-10(8(3)18-6)19(16,17)15-11-9(5-12)7(2)13-14-11/h4H,1-3H3,(H2,13,14,15)
InChIKeyPDZMXDTUMCDRBZ-UHFFFAOYSA-N
XLogP2.07
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 75521891) is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)c(C)s1.
What is the InChIKey of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is PDZMXDTUMCDRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-6-4-10(8(3)18-6)19(16,17)15-11-9(5-12)7(2)13-14-11/h4H,1-3H3,(H2,13,14,15).
What are the key properties of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 296.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 75521891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).