N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

C21H19N3O2S — CID 22205075

IUPACN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESCc1ccc(Cn2cc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-6-8-17(9-7-16)14-24-15-20(13-22-24)23-27(25,26)21-11-10-18-4-2-3-5-19(18)12-21/h2-13,15,23H,14H2,1H3
InChIKeyNNBPLERLGMXWLH-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.19
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (PubChem CID 22205075) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
PubChem CID22205075
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC NameN-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESCc1ccc(Cn2cc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-6-8-17(9-7-16)14-24-15-20(13-22-24)23-27(25,26)21-11-10-18-4-2-3-5-19(18)12-21/h2-13,15,23H,14H2,1H3
InChIKeyNNBPLERLGMXWLH-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22204834
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
CID 4776140
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22202053
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
N-(3,5-dimethylphenyl)naphthalene-2-sulfonamide
CID 874153
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (CID 22205075) is N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide is Cc1ccc(Cn2cc(NS(=O)(=O)c3ccc4ccccc4c3)cn2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The InChIKey is NNBPLERLGMXWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-16-6-8-17(9-7-16)14-24-15-20(13-22-24)23-27(25,26)21-11-10-18-4-2-3-5-19(18)12-21/h2-13,15,23H,14H2,1H3.
What are the key properties of N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22205075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).