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

C11H14ClN3O2S2 — CID 103100335

IUPAC5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)sc1Cl
InChIInChI=1S/C11H14ClN3O2S2/c1-6(2)8-5-9(14-13-8)15-19(16,17)10-4-7(3)11(12)18-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyWDHUJVAPPVMSIH-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.36
Rot. Bonds4

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

5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 103100335) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID103100335
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)sc1Cl
InChIInChI=1S/C11H14ClN3O2S2/c1-6(2)8-5-9(14-13-8)15-19(16,17)10-4-7(3)11(12)18-10/h4-6H,1-3H3,(H2,13,14,15)
InChIKeyWDHUJVAPPVMSIH-UHFFFAOYSA-N
XLogP3.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.36
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-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 103100335) is 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)sc1Cl.
What is the InChIKey of 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is WDHUJVAPPVMSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S2/c1-6(2)8-5-9(14-13-8)15-19(16,17)10-4-7(3)11(12)18-10/h4-6H,1-3H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 319.84 g/mol, XLogP of 3.36, 4 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-propan-2-yl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 103100335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).