2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

C13H10Cl2N6O2S — CID 121135483

IUPAC2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N6O2S/c1-8-2-11(10(15)3-9(8)14)24(22,23)20-12-4-13(18-6-17-12)21-7-16-5-19-21/h2-7H,1H3,(H,17,18,20)
InChIKeyISYNEIQPRVGQJF-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.47
Rot. Bonds4

About 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (PubChem CID 121135483) has the molecular formula C13H10Cl2N6O2S and a molecular weight of 385.24 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
PubChem CID121135483
Molecular FormulaC13H10Cl2N6O2S
Molecular Weight385.24 g/mol
Exact Mass384.00
IUPAC Name2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N6O2S/c1-8-2-11(10(15)3-9(8)14)24(22,23)20-12-4-13(18-6-17-12)21-7-16-5-19-21/h2-7H,1H3,(H,17,18,20)
InChIKeyISYNEIQPRVGQJF-UHFFFAOYSA-N
XLogP2.47
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trichloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135165
5-bromo-2-methoxy-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135452
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(1,2,4-triazol-1-yl)pyridazine
CID 121145895
4-propyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135484
5-chloro-2-methyl-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135065
1-(3-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methanesulfonamide
CID 121135495
N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121135441
4-fluoro-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 121135423
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 16644970
2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
CID 121135488
2-(2-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]acetamide
CID 71805433
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121135146

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide (CID 121135483) is 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(-n3cncn3)ncn2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
The InChIKey is ISYNEIQPRVGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O2S/c1-8-2-11(10(15)3-9(8)14)24(22,23)20-12-4-13(18-6-17-12)21-7-16-5-19-21/h2-7H,1H3,(H,17,18,20).
What are the key properties of 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide has a molecular weight of 385.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 121135483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).