5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

C11H12N4O2S2 — CID 106268698

IUPAC5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(C#N)s2)cn1
InChIInChI=1S/C11H12N4O2S2/c1-15-8-9(7-13-15)4-5-14-19(16,17)11-3-2-10(6-12)18-11/h2-3,7-8,14H,4-5H2,1H3
InChIKeySHSUSRHTMBBRMN-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.87
Rot. Bonds5

About 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide

5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106268698) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106268698
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(C#N)s2)cn1
InChIInChI=1S/C11H12N4O2S2/c1-15-8-9(7-13-15)4-5-14-19(16,17)11-3-2-10(6-12)18-11/h2-3,7-8,14H,4-5H2,1H3
InChIKeySHSUSRHTMBBRMN-UHFFFAOYSA-N
XLogP0.87
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106268817
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106269751
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272938
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 80682915

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 106268698) is 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is Cn1cc(CCNS(=O)(=O)c2ccc(C#N)s2)cn1.
What is the InChIKey of 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SHSUSRHTMBBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-15-8-9(7-13-15)4-5-14-19(16,17)11-3-2-10(6-12)18-11/h2-3,7-8,14H,4-5H2,1H3.
What are the key properties of 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 296.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).