N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide

C15H16N4O2S — CID 3866920

IUPACN-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H16N4O2S/c1-10-14(11(2)19(3)17-10)18-22(20,21)13-8-4-6-12-7-5-9-16-15(12)13/h4-9,18H,1-3H3
InChIKeySSMKVNXCYVMRRZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.39
Rot. Bonds3

About N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide (PubChem CID 3866920) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide
PubChem CID3866920
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C15H16N4O2S/c1-10-14(11(2)19(3)17-10)18-22(20,21)13-8-4-6-12-7-5-9-16-15(12)13/h4-9,18H,1-3H3
InChIKeySSMKVNXCYVMRRZ-UHFFFAOYSA-N
XLogP2.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide (CID 3866920) is N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide?
The InChIKey is SSMKVNXCYVMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-14(11(2)19(3)17-10)18-22(20,21)13-8-4-6-12-7-5-9-16-15(12)13/h4-9,18H,1-3H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 3866920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).