N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C15H16N6O3S2 — CID 110401176

IUPACN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nnc2sc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nn12
InChIInChI=1S/C15H16N6O3S2/c1-10-17-18-15-21(10)19-13(25-15)9-16-26(23,24)12-6-4-11(5-7-12)20-8-2-3-14(20)22/h4-7,16H,2-3,8-9H2,1H3
InChIKeySUKCFCVRTQHRGH-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.10
Rot. Bonds5

About N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110401176) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110401176
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC NameN-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nnc2sc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nn12
InChIInChI=1S/C15H16N6O3S2/c1-10-17-18-15-21(10)19-13(25-15)9-16-26(23,24)12-6-4-11(5-7-12)20-8-2-3-14(20)22/h4-7,16H,2-3,8-9H2,1H3
InChIKeySUKCFCVRTQHRGH-UHFFFAOYSA-N
XLogP1.10
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
CID 110401126
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92682729
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
N-(4-methylsulfanylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]acetamide
CID 9180389
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(1H-imidazol-2-ylmethyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110725759
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 110401176) is N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1nnc2sc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nn12.
What is the InChIKey of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is SUKCFCVRTQHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-10-17-18-15-21(10)19-13(25-15)9-16-26(23,24)12-6-4-11(5-7-12)20-8-2-3-14(20)22/h4-7,16H,2-3,8-9H2,1H3.
What are the key properties of N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 392.47 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110401176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).