2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide

C9H9Cl2N3O2S2 — CID 43547470

IUPAC2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H9Cl2N3O2S2/c1-4-8(5(2)13-12-4)14-18(15,16)6-3-7(10)17-9(6)11/h3,14H,1-2H3,(H,12,13)
InChIKeyGRXLSJHHHSAHFT-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide

2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide (PubChem CID 43547470) has the molecular formula C9H9Cl2N3O2S2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
PubChem CID43547470
Molecular FormulaC9H9Cl2N3O2S2
Molecular Weight326.23 g/mol
Exact Mass324.95
IUPAC Name2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H9Cl2N3O2S2/c1-4-8(5(2)13-12-4)14-18(15,16)6-3-7(10)17-9(6)11/h3,14H,1-2H3,(H,12,13)
InChIKeyGRXLSJHHHSAHFT-UHFFFAOYSA-N
XLogP3.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.20
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-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide (CID 43547470) is 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is GRXLSJHHHSAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O2S2/c1-4-8(5(2)13-12-4)14-18(15,16)6-3-7(10)17-9(6)11/h3,14H,1-2H3,(H,12,13).
What are the key properties of 2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide has a molecular weight of 326.23 g/mol, XLogP of 3.20, 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-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 43547470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).