2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C17H22N4O3S — CID 3164046

IUPAC2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O3S/c1-11-10-14(21-9-5-6-16(21)22)7-8-15(11)25(23,24)19-17-12(2)18-20(4)13(17)3/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyHVLJCAJCKRFZOQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3164046) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3164046
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C17H22N4O3S/c1-11-10-14(21-9-5-6-16(21)22)7-8-15(11)25(23,24)19-17-12(2)18-20(4)13(17)3/h7-8,10,19H,5-6,9H2,1-4H3
InChIKeyHVLJCAJCKRFZOQ-UHFFFAOYSA-N
XLogP2.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3164046) is 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is HVLJCAJCKRFZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-10-14(21-9-5-6-16(21)22)7-8-15(11)25(23,24)19-17-12(2)18-20(4)13(17)3/h7-8,10,19H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3164046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).