N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H25N3O2S — CID 26545292

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O2S/c1-24(15-19-14-23-25(17-19)16-18-7-3-2-4-8-18)28(26,27)22-12-11-20-9-5-6-10-21(20)13-22/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3
InChIKeyKVDBYLNQQLKMBA-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.63
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 26545292) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID26545292
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O2S/c1-24(15-19-14-23-25(17-19)16-18-7-3-2-4-8-18)28(26,27)22-12-11-20-9-5-6-10-21(20)13-22/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3
InChIKeyKVDBYLNQQLKMBA-UHFFFAOYSA-N
XLogP3.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
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-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 57471318
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 26545292) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(Cc1cnn(Cc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is KVDBYLNQQLKMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-24(15-19-14-23-25(17-19)16-18-7-3-2-4-8-18)28(26,27)22-12-11-20-9-5-6-10-21(20)13-22/h2-4,7-8,11-14,17H,5-6,9-10,15-16H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 395.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 26545292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).