N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

C11H15N3O2S2 — CID 22207384

IUPACN-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccnn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-10-5-7-12-14(10)8-3-6-13-18(15,16)11-4-2-9-17-11/h2,4-5,7,9,13H,3,6,8H2,1H3
InChIKeyLXRWEKRTILGSHV-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide

N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (PubChem CID 22207384) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
PubChem CID22207384
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
SMILESCc1ccnn1CCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-10-5-7-12-14(10)8-3-6-13-18(15,16)11-4-2-9-17-11/h2,4-5,7,9,13H,3,6,8H2,1H3
InChIKeyLXRWEKRTILGSHV-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-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide (CID 22207384) is N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is Cc1ccnn1CCCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is LXRWEKRTILGSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-10-5-7-12-14(10)8-3-6-13-18(15,16)11-4-2-9-17-11/h2,4-5,7,9,13H,3,6,8H2,1H3.
What are the key properties of N-[3-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide?
N-[3-(5-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-(5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).