2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide

C16H16ClN5O2S — CID 1068835

IUPAC2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1cc(-n2nc(C)cc2C)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H16ClN5O2S/c1-10-9-15(22-12(3)8-11(2)20-22)19-16(18-10)21-25(23,24)14-7-5-4-6-13(14)17/h4-9H,1-3H3,(H,18,19,21)
InChIKeyMFCURADKGSBPJV-UHFFFAOYSA-N
MW377.86 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide

2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide (PubChem CID 1068835) has the molecular formula C16H16ClN5O2S and a molecular weight of 377.86 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide
PubChem CID1068835
Molecular FormulaC16H16ClN5O2S
Molecular Weight377.86 g/mol
Exact Mass377.07
IUPAC Name2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide
SMILESCc1cc(-n2nc(C)cc2C)nc(NS(=O)(=O)c2ccccc2Cl)n1
InChIInChI=1S/C16H16ClN5O2S/c1-10-9-15(22-12(3)8-11(2)20-22)19-16(18-10)21-25(23,24)14-7-5-4-6-13(14)17/h4-9H,1-3H3,(H,18,19,21)
InChIKeyMFCURADKGSBPJV-UHFFFAOYSA-N
XLogP3.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide (CID 1068835) is 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide is Cc1cc(-n2nc(C)cc2C)nc(NS(=O)(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide?
The InChIKey is MFCURADKGSBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2S/c1-10-9-15(22-12(3)8-11(2)20-22)19-16(18-10)21-25(23,24)14-7-5-4-6-13(14)17/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide?
2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide has a molecular weight of 377.86 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 1068835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).