N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C11H15N3O2S2 — CID 22209479

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-8-10(9(2)14(3)13-8)7-12-18(15,16)11-5-4-6-17-11/h4-6,12H,7H2,1-3H3
InChIKeyVYCRKXZBKDEUTP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.58
Rot. Bonds4

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 22209479) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID22209479
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-8-10(9(2)14(3)13-8)7-12-18(15,16)11-5-4-6-17-11/h4-6,12H,7H2,1-3H3
InChIKeyVYCRKXZBKDEUTP-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 22209479) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VYCRKXZBKDEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-10(9(2)14(3)13-8)7-12-18(15,16)11-5-4-6-17-11/h4-6,12H,7H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22209479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).