N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C17H19N3O2S — CID 22771478

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cnn1C
InChIInChI=1S/C17H19N3O2S/c1-13-16(11-18-20(13)3)12-19(2)23(21,22)17-9-8-14-6-4-5-7-15(14)10-17/h4-11H,12H2,1-3H3
InChIKeyFYRUJNWLLLRYSV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.70
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 22771478) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID22771478
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCc1c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cnn1C
InChIInChI=1S/C17H19N3O2S/c1-13-16(11-18-20(13)3)12-19(2)23(21,22)17-9-8-14-6-4-5-7-15(14)10-17/h4-11H,12H2,1-3H3
InChIKeyFYRUJNWLLLRYSV-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

Hsp90-IN-27
CID 842058
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)naphthalene-2-sulfonamide
CID 3853763

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 22771478) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is Cc1c(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is FYRUJNWLLLRYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-16(11-18-20(13)3)12-19(2)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-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(1,5-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-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 22771478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).