N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide

C15H15N3O2S — CID 114795551

IUPACN-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O2S/c1-18(11-12-9-16-17-10-12)21(19,20)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,16,17)
InChIKeyMGAFFJAWXBMVDC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.38
Rot. Bonds4

About N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide

N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 114795551) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
PubChem CID114795551
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
SMILESCN(Cc1cn[nH]c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H15N3O2S/c1-18(11-12-9-16-17-10-12)21(19,20)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,16,17)
InChIKeyMGAFFJAWXBMVDC-UHFFFAOYSA-N
XLogP2.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[tert-butylsulfamoyl(methyl)amino]methyl]-1H-pyrazole
CID 114810124
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 54895504
N-(2-hydroxypropyl)-N-methylnaphthalene-1-sulfonamide
CID 115902788
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103051544
N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021
2-hydroxy-N-methyl-N-(1H-pyrazol-4-ylmethyl)ethanesulfonamide
CID 79578513
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
N-(1,3-dioxolan-2-ylmethyl)-N-methylnaphthalene-1-sulfonamide
CID 4994619

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide (CID 114795551) is N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide is CN(Cc1cn[nH]c1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is MGAFFJAWXBMVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18(11-12-9-16-17-10-12)21(19,20)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide?
N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 114795551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).