N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C17H19N3O2S — CID 22771442

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2S/c1-13-16(11-19(2)18-13)12-20(3)23(21,22)17-9-8-14-6-4-5-7-15(14)10-17/h4-11H,12H2,1-3H3
InChIKeyVZJUKLHABUTJTC-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.70
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 22771442) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID22771442
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O2S/c1-13-16(11-19(2)18-13)12-20(3)23(21,22)17-9-8-14-6-4-5-7-15(14)10-17/h4-11H,12H2,1-3H3
InChIKeyVZJUKLHABUTJTC-UHFFFAOYSA-N
XLogP2.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771414
5-(dimethylamino)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-4-propylbenzenesulfonamide
CID 22771421
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
CID 22771443
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771454
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 46353462
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylethanesulfonamide
CID 22771446
N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326500
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
N-[(4-fluorophenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4794072
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
CID 29089458

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 22771442) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is VZJUKLHABUTJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-16(11-19(2)18-13)12-20(3)23(21,22)17-9-8-14-6-4-5-7-15(14)10-17/h4-11H,12H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 22771442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).