N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

C16H23N3O4S — CID 22209016

IUPACN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2ccc(OC)cc2OC)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(3)14(10-17-19)11(2)18-24(20,21)16-8-7-13(22-4)9-15(16)23-5/h7-11,18H,6H2,1-5H3
InChIKeyNYODGOZTVPMJAK-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.27
Rot. Bonds7

About N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22209016) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22209016
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCn1ncc(C(C)NS(=O)(=O)c2ccc(OC)cc2OC)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(3)14(10-17-19)11(2)18-24(20,21)16-8-7-13(22-4)9-15(16)23-5/h7-11,18H,6H2,1-5H3
InChIKeyNYODGOZTVPMJAK-UHFFFAOYSA-N
XLogP2.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22209009
N-[4-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 22209033
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 22209016) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is CCn1ncc(C(C)NS(=O)(=O)c2ccc(OC)cc2OC)c1C.
What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is NYODGOZTVPMJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-6-19-12(3)14(10-17-19)11(2)18-24(20,21)16-8-7-13(22-4)9-15(16)23-5/h7-11,18H,6H2,1-5H3.
What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22209016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).