N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide

C14H19N3O4S — CID 22209419

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cnn(C)c2C)c(OC)c1
InChIInChI=1S/C14H19N3O4S/c1-10-11(8-15-17(10)2)9-16-22(18,19)14-6-5-12(20-3)7-13(14)21-4/h5-8,16H,9H2,1-4H3
InChIKeyMODVKAVMIUXVGC-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.22
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22209419) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22209419
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cnn(C)c2C)c(OC)c1
InChIInChI=1S/C14H19N3O4S/c1-10-11(8-15-17(10)2)9-16-22(18,19)14-6-5-12(20-3)7-13(14)21-4/h5-8,16H,9H2,1-4H3
InChIKeyMODVKAVMIUXVGC-UHFFFAOYSA-N
XLogP1.22
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
CID 79529149
1-(2,4-dimethoxyphenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208305
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
2,4-dimethoxy-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719005

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide (CID 22209419) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cnn(C)c2C)c(OC)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is MODVKAVMIUXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10-11(8-15-17(10)2)9-16-22(18,19)14-6-5-12(20-3)7-13(14)21-4/h5-8,16H,9H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22209419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).