2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

C8H7Cl2N3O2S2 — CID 3833413

IUPAC2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C8H7Cl2N3O2S2/c1-4-2-7(12-11-4)13-17(14,15)5-3-6(9)16-8(5)10/h2-3H,1H3,(H2,11,12,13)
InChIKeyAELFWWBFAWNSNV-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.89
Rot. Bonds3

About 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 3833413) has the molecular formula C8H7Cl2N3O2S2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID3833413
Molecular FormulaC8H7Cl2N3O2S2
Molecular Weight312.20 g/mol
Exact Mass310.94
IUPAC Name2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C8H7Cl2N3O2S2/c1-4-2-7(12-11-4)13-17(14,15)5-3-6(9)16-8(5)10/h2-3H,1H3,(H2,11,12,13)
InChIKeyAELFWWBFAWNSNV-UHFFFAOYSA-N
XLogP2.89
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (CID 3833413) is 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1.
What is the InChIKey of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is AELFWWBFAWNSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N3O2S2/c1-4-2-7(12-11-4)13-17(14,15)5-3-6(9)16-8(5)10/h2-3H,1H3,(H2,11,12,13).
What are the key properties of 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 312.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 3833413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).