5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C9H10ClN3O2S2 — CID 103100316

IUPAC5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C9H10ClN3O2S2/c1-5-3-8(16-9(5)10)17(14,15)13-7-4-6(2)11-12-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyRYYUOANGITWSMA-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.54
Rot. Bonds3

About 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 103100316) has the molecular formula C9H10ClN3O2S2 and a molecular weight of 291.79 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID103100316
Molecular FormulaC9H10ClN3O2S2
Molecular Weight291.79 g/mol
Exact Mass290.99
IUPAC Name5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1
InChIInChI=1S/C9H10ClN3O2S2/c1-5-3-8(16-9(5)10)17(14,15)13-7-4-6(2)11-12-7/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyRYYUOANGITWSMA-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 103100316) is 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n[nH]1.
What is the InChIKey of 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is RYYUOANGITWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S2/c1-5-3-8(16-9(5)10)17(14,15)13-7-4-6(2)11-12-7/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 103100316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).