N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide

C19H23N3O2S — CID 46353462

IUPACN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2S/c1-14-19(15(2)22(4)20-14)11-12-21(3)25(23,24)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13H,11-12H2,1-4H3
InChIKeyVELPRACQQSNJEC-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.05
Rot. Bonds5

About N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide

N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 46353462) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
PubChem CID46353462
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O2S/c1-14-19(15(2)22(4)20-14)11-12-21(3)25(23,24)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13H,11-12H2,1-4H3
InChIKeyVELPRACQQSNJEC-UHFFFAOYSA-N
XLogP3.05
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353456
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522
N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 22771442
N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326500
5-bromo-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 46353490
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
CID 29089458
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
5-(dimethylamino)-N-[(3-ethyl-1,5-dimethylpyrazol-4-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 153326589
1-naphthalen-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiourea
CID 71940899

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide (CID 46353462) is N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide is Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide?
The InChIKey is VELPRACQQSNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-19(15(2)22(4)20-14)11-12-21(3)25(23,24)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide?
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46353462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).