N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide

C15H21N3O3S — CID 22771326

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CNS(=O)(=O)c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(3)15(11(2)17-18)10-16-22(19,20)14-8-6-13(21-4)7-9-14/h6-9,16H,5,10H2,1-4H3
InChIKeyFAKAJNXINSNPMR-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.01
Rot. Bonds6

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 22771326) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID22771326
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CNS(=O)(=O)c2ccc(OC)cc2)c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(3)15(11(2)17-18)10-16-22(19,20)14-8-6-13(21-4)7-9-14/h6-9,16H,5,10H2,1-4H3
InChIKeyFAKAJNXINSNPMR-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 22771336
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-methoxybenzenesulfonamide
CID 53163237
ethyl 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzoate
CID 17465619
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122252847
4-methoxy-N-[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 141000162
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 53021036
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
CID 29089458
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92659524

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide (CID 22771326) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide is CCn1nc(C)c(CNS(=O)(=O)c2ccc(OC)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is FAKAJNXINSNPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-18-12(3)15(11(2)17-18)10-16-22(19,20)14-8-6-13(21-4)7-9-14/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 22771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).