N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C20H23N3O4S — CID 8823361

IUPACN-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCOc1ccc(Oc2ccccc2NS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H23N3O4S/c1-5-26-16-10-12-17(13-11-16)27-19-9-7-6-8-18(19)22-28(24,25)20-14(2)21-23(4)15(20)3/h6-13,22H,5H2,1-4H3
InChIKeyQJRFAFJQYGAURK-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.03
Rot. Bonds7

About N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8823361) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8823361
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCOc1ccc(Oc2ccccc2NS(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H23N3O4S/c1-5-26-16-10-12-17(13-11-16)27-19-9-7-6-8-18(19)22-28(24,25)20-14(2)21-23(4)15(20)3/h6-13,22H,5H2,1-4H3
InChIKeyQJRFAFJQYGAURK-UHFFFAOYSA-N
XLogP4.03
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(4-ethoxyphenoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 55590040
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
N-[2-(4-ethoxyphenoxy)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 7938368
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-[2-(4-ethoxyphenoxy)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 17460804
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
3-amino-N-(3-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358660
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8823361) is N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QJRFAFJQYGAURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-5-26-16-10-12-17(13-11-16)27-19-9-7-6-8-18(19)22-28(24,25)20-14(2)21-23(4)15(20)3/h6-13,22H,5H2,1-4H3.
What are the key properties of N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8823361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).