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

C10H10BrN3O2S2 — CID 54951923

IUPAC3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C10H10BrN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-8(11)3-4-17-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyFVZYPWGDRMADJF-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.72
Rot. Bonds3

About 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide

3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (PubChem CID 54951923) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
PubChem CID54951923
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC Name3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2sccc2Br)n1
InChIInChI=1S/C10H10BrN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-8(11)3-4-17-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyFVZYPWGDRMADJF-UHFFFAOYSA-N
XLogP2.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}thiophene-2-sulfonamide
CID 71797021
1-(3-Chlorothiophen-2-yl)sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 20215701
4-Methyl-6-(thiophen-3-ylsulfonylmethyl)-2-(trifluoromethyl)pyrimidine
CID 167814247
1-(3-Bromothiophen-2-yl)sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 13203340
1-(4,6-Dimethylpyrimidin-2-yl)-3-(2-methylsulfonylthiophen-3-yl)sulfonylurea
CID 13322006
1-(4,6-Dimethylpyrimidin-2-yl)-3-thiophen-2-ylsulfonylurea
CID 15149565
1-(4,6-Dimethylpyrimidin-2-yl)-3-(3-methylthiophen-2-yl)sulfonylurea
CID 20215717
1-Thiophen-2-ylsulfonyl-3-(4,5,6-trimethylpyrimidin-2-yl)urea
CID 2753516
N'-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonohydrazide
CID 8480307
5-bromo-N'-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonohydrazide
CID 8480376
(4,6-Dimethylpyrimidin-2-yl)(2-thienylsulfonyl)amine
CID 17376079
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide
CID 22202487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide (CID 54951923) is 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2sccc2Br)n1.
What is the InChIKey of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
The InChIKey is FVZYPWGDRMADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c1-6-5-7(2)13-10(12-6)14-18(15,16)9-8(11)3-4-17-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide?
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide has a molecular weight of 348.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 54951923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).