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

C9H9Cl2N3O2S2 — CID 113258813

IUPAC2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C9H9Cl2N3O2S2/c1-2-5-3-8(13-12-5)14-18(15,16)6-4-7(10)17-9(6)11/h3-4H,2H2,1H3,(H2,12,13,14)
InChIKeyMPBFHNCNXZOUFI-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.14
Rot. Bonds4

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

2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (PubChem CID 113258813) has the molecular formula C9H9Cl2N3O2S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
PubChem CID113258813
Molecular FormulaC9H9Cl2N3O2S2
Molecular Weight326.23 g/mol
Exact Mass324.95
IUPAC Name2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
SMILESCCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1
InChIInChI=1S/C9H9Cl2N3O2S2/c1-2-5-3-8(13-12-5)14-18(15,16)6-4-7(10)17-9(6)11/h3-4H,2H2,1H3,(H2,12,13,14)
InChIKeyMPBFHNCNXZOUFI-UHFFFAOYSA-N
XLogP3.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
4-[(5-ethyl-1H-pyrazol-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 104617455
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
2,4-dibromo-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 113257792
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
3-amino-4-chloro-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616725
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 107652417
N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115750876
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide (CID 113258813) is 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is CCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n[nH]1.
What is the InChIKey of 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
The InChIKey is MPBFHNCNXZOUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2S2/c1-2-5-3-8(13-12-5)14-18(15,16)6-4-7(10)17-9(6)11/h3-4H,2H2,1H3,(H2,12,13,14).
What are the key properties of 2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide has a molecular weight of 326.23 g/mol, XLogP of 3.14, 4 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-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 113258813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).