methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate

C15H17N3O4S — CID 167757583

IUPACmethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NS(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H17N3O4S/c1-9-7-10(2)13(11(3)8-9)23(20,21)18-12-5-6-16-14(17-12)15(19)22-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyYYCVWIGCQIKTSE-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.99
Rot. Bonds4

About methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate

methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate (PubChem CID 167757583) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate
PubChem CID167757583
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NS(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H17N3O4S/c1-9-7-10(2)13(11(3)8-9)23(20,21)18-12-5-6-16-14(17-12)15(19)22-4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyYYCVWIGCQIKTSE-UHFFFAOYSA-N
XLogP1.99
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286282
methyl 2-chloro-5-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 40727014
methyl 4-tert-butylpyrimidine-2-carboxylate
CID 116901231
2,6-dimethyl-4-(methylamino)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 107328600
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-chloropyrimidine-2-carboxylate
CID 64989066
methyl 4-[(2,4-difluorophenyl)methylamino]pyrimidine-2-carboxylate
CID 66285457
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]benzoic acid
CID 66288597
methyl 4-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284657
bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)
CID 139147124

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate (CID 167757583) is methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NS(=O)(=O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate?
The InChIKey is YYCVWIGCQIKTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-7-10(2)13(11(3)8-9)23(20,21)18-12-5-6-16-14(17-12)15(19)22-4/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate?
methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 167757583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).