N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide

C10H11N3O2S2 — CID 17376079

IUPACN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H11N3O2S2/c1-7-6-8(2)12-10(11-7)13-17(14,15)9-4-3-5-16-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyMRDLDHMOWATSQR-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide

N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (PubChem CID 17376079) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
PubChem CID17376079
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H11N3O2S2/c1-7-6-8(2)12-10(11-7)13-17(14,15)9-4-3-5-16-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyMRDLDHMOWATSQR-UHFFFAOYSA-N
XLogP1.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (CID 17376079) is N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The InChIKey is MRDLDHMOWATSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-6-8(2)12-10(11-7)13-17(14,15)9-4-3-5-16-9/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 17376079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).