5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide

C10H10BrN3O3S2 — CID 104599534

IUPAC5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C10H10BrN3O3S2/c1-6-5-8(17-2)13-10(12-6)14-19(15,16)9-4-3-7(11)18-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXTVBJASVHPYPMT-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.42
Rot. Bonds4

About 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide

5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide (PubChem CID 104599534) has the molecular formula C10H10BrN3O3S2 and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
PubChem CID104599534
Molecular FormulaC10H10BrN3O3S2
Molecular Weight364.25 g/mol
Exact Mass362.93
IUPAC Name5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C10H10BrN3O3S2/c1-6-5-8(17-2)13-10(12-6)14-19(15,16)9-4-3-7(11)18-9/h3-5H,1-2H3,(H,12,13,14)
InChIKeyXTVBJASVHPYPMT-UHFFFAOYSA-N
XLogP2.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 107603212
methyl 5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophene-2-carboxylate
CID 154752638
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
3-bromo-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 106704205
5-bromo-N-(4,6-dimethyl-2-pyridinyl)thiophene-2-sulfonamide chloride
CID 53313303
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
2-amino-4-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605455
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601008
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107652681

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide (CID 104599534) is 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide?
The InChIKey is XTVBJASVHPYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S2/c1-6-5-8(17-2)13-10(12-6)14-19(15,16)9-4-3-7(11)18-9/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide has a molecular weight of 364.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104599534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).