N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

C11H15N3O2S2 — CID 22207237

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H15N3O2S2/c1-10-8-12-14(9-10)6-3-5-13-18(15,16)11-4-2-7-17-11/h2,4,7-9,13H,3,5-6H2,1H3
InChIKeyNLIAWASGYHBNTC-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207237) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207237
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1cnn(CCCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C11H15N3O2S2/c1-10-8-12-14(9-10)6-3-5-13-18(15,16)11-4-2-7-17-11/h2,4,7-9,13H,3,5-6H2,1H3
InChIKeyNLIAWASGYHBNTC-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207237) is N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1cnn(CCCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is NLIAWASGYHBNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-10-8-12-14(9-10)6-3-5-13-18(15,16)11-4-2-7-17-11/h2,4,7-9,13H,3,5-6H2,1H3.
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).