N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide

C16H18N4O2S — CID 22771443

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H18N4O2S/c1-12-14(10-19(2)18-12)11-20(3)23(21,22)15-8-4-6-13-7-5-9-17-16(13)15/h4-10H,11H2,1-3H3
InChIKeyAERWKUQSYLKWCY-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.10
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide (PubChem CID 22771443) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
PubChem CID22771443
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H18N4O2S/c1-12-14(10-19(2)18-12)11-20(3)23(21,22)15-8-4-6-13-7-5-9-17-16(13)15/h4-10H,11H2,1-3H3
InChIKeyAERWKUQSYLKWCY-UHFFFAOYSA-N
XLogP2.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide (CID 22771443) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide?
The InChIKey is AERWKUQSYLKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-12-14(10-19(2)18-12)11-20(3)23(21,22)15-8-4-6-13-7-5-9-17-16(13)15/h4-10H,11H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide is sourced from PubChem (CID 22771443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).