1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide

C10H13F3N4O2S — CID 136522202

IUPAC1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(N2CCC(S(N)(=O)=O)C2)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-4-8(10(11,12)13)16-9(15-6)17-3-2-7(5-17)20(14,18)19/h4,7H,2-3,5H2,1H3,(H2,14,18,19)
InChIKeyVSXVFMRZFYHXFC-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.67
Rot. Bonds2

About 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide

1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide (PubChem CID 136522202) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide
PubChem CID136522202
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(N2CCC(S(N)(=O)=O)C2)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-4-8(10(11,12)13)16-9(15-6)17-3-2-7(5-17)20(14,18)19/h4,7H,2-3,5H2,1H3,(H2,14,18,19)
InChIKeyVSXVFMRZFYHXFC-UHFFFAOYSA-N
XLogP0.67
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 71797010
CID 71797010
CID 71807407
CID 71807407
CID 71807408
CID 71807408
CID 84591969
CID 84591969
CID 110259453
CID 110259453
CID 1455375
CID 1455375
CID 71797009
CID 71797009
CID 119100370
CID 119100370
CID 20432146
CID 20432146
CID 135240638
CID 135240638
CID 135240706
CID 135240706
CID 170573238
CID 170573238

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide (CID 136522202) is 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide is Cc1cc(C(F)(F)F)nc(N2CCC(S(N)(=O)=O)C2)n1.
What is the InChIKey of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide?
The InChIKey is VSXVFMRZFYHXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-6-4-8(10(11,12)13)16-9(15-6)17-3-2-7(5-17)20(14,18)19/h4,7H,2-3,5H2,1H3,(H2,14,18,19).
What are the key properties of 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide?
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide has a molecular weight of 310.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 136522202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).