2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide

C10H11N3O2S2 — CID 75521882

IUPAC2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccn2)c(C)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-6-9(8(2)16-7)17(14,15)13-10-11-4-3-5-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyIAFCZWPGMMVSQQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.96
Rot. Bonds3

About 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide

2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide (PubChem CID 75521882) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
PubChem CID75521882
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccn2)c(C)s1
InChIInChI=1S/C10H11N3O2S2/c1-7-6-9(8(2)16-7)17(14,15)13-10-11-4-3-5-12-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyIAFCZWPGMMVSQQ-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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Related Compounds

N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
2,5-dimethyl-N-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]thiophene-3-sulfonamide
CID 124514744
2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
CID 126833361
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
N-tert-butyl-2,5-dimethylthiophene-3-sulfonamide
CID 16640089
2,5-dimethyl-N-(4-pyrazol-1-ylphenyl)thiophene-3-sulfonamide
CID 39837092
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide (CID 75521882) is 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ncccn2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide?
The InChIKey is IAFCZWPGMMVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-7-6-9(8(2)16-7)17(14,15)13-10-11-4-3-5-12-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide?
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-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 2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 75521882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).