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

C16H21N3O2S — CID 39794987

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21N3O2S/c1-18-11-13(10-17-18)12-19(2)22(20,21)16-8-7-14-5-3-4-6-15(14)9-16/h7-11H,3-6,12H2,1-2H3
InChIKeyWYTOFTIUJMGONH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.12
Rot. Bonds4

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 39794987) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID39794987
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21N3O2S/c1-18-11-13(10-17-18)12-19(2)22(20,21)16-8-7-14-5-3-4-6-15(14)9-16/h7-11H,3-6,12H2,1-2H3
InChIKeyWYTOFTIUJMGONH-UHFFFAOYSA-N
XLogP2.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.12
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,2,4,6-tetramethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 896677
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-[(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
N-(3-pyrazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 45811507
3-cyano-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
CID 53588627

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 39794987) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is WYTOFTIUJMGONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-18-11-13(10-17-18)12-19(2)22(20,21)16-8-7-14-5-3-4-6-15(14)9-16/h7-11H,3-6,12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 39794987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).