1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide

C15H16N4O2S — CID 16673858

IUPAC1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C15H16N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,10,17H,9H2,1-2H3
InChIKeyHBORWDNCNKHEAQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.76
Rot. Bonds4

About 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 16673858) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID16673858
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cnc2ccccc2c1
InChIInChI=1S/C15H16N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,10,17H,9H2,1-2H3
InChIKeyHBORWDNCNKHEAQ-UHFFFAOYSA-N
XLogP1.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 42282271
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 91792904
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(quinolin-3-ylmethyl)aniline
CID 12573835
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
1,3-dimethyl-N-pyridin-2-ylpyrazole-4-sulfonamide
CID 17375852
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide (CID 16673858) is 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1cnc2ccccc2c1.
What is the InChIKey of 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is HBORWDNCNKHEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 316.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 16673858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).