N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H25N3O4S — CID 3237955

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC
InChIInChI=1S/C17H25N3O4S/c1-5-23-15-8-7-14(11-16(15)24-6-2)9-10-18-25(21,22)17-12(3)19-20-13(17)4/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyCSNCDMYPOADQCO-UHFFFAOYSA-N
MW367.47 g/mol
LogP2.34
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 3237955) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID3237955
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC
InChIInChI=1S/C17H25N3O4S/c1-5-23-15-8-7-14(11-16(15)24-6-2)9-10-18-25(21,22)17-12(3)19-20-13(17)4/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyCSNCDMYPOADQCO-UHFFFAOYSA-N
XLogP2.34
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 3237955) is N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CSNCDMYPOADQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-5-23-15-8-7-14(11-16(15)24-6-2)9-10-18-25(21,22)17-12(3)19-20-13(17)4/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 3237955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).