N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

C17H19N3O2S — CID 4176639

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H19N3O2S/c1-3-20-13-14(11-18-20)12-19(2)23(21,22)17-9-8-15-6-4-5-7-16(15)10-17/h4-11,13H,3,12H2,1-2H3
InChIKeyHZZVIZFGVDNUSS-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.88
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide

N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (PubChem CID 4176639) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
PubChem CID4176639
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H19N3O2S/c1-3-20-13-14(11-18-20)12-19(2)23(21,22)17-9-8-15-6-4-5-7-16(15)10-17/h4-11,13H,3,12H2,1-2H3
InChIKeyHZZVIZFGVDNUSS-UHFFFAOYSA-N
XLogP2.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 127025293
Hsp90-IN-27
CID 842058
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-sulfonic acid amide
CID 118660675
1-Naphthalen-2-ylsulfonylpyrazole
CID 6469143
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,3,4-trimethylbenzenesulfonamide
CID 3277554
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-(propan-2-yl)benzenesulfonamide
CID 22204129
4-fluoro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 17512561
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204121

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide (CID 4176639) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
The InChIKey is HZZVIZFGVDNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-20-13-14(11-18-20)12-19(2)23(21,22)17-9-8-15-6-4-5-7-16(15)10-17/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 4176639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).