N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C18H19N3O3S — CID 42283333

IUPACN-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O3S/c1-3-24-17-12-8-7-11-16(17)20-25(22,23)18-13-21(19-14(18)2)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3
InChIKeySEQYHLAXTMDYDS-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.38
Rot. Bonds6

About N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283333) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283333
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C
InChIInChI=1S/C18H19N3O3S/c1-3-24-17-12-8-7-11-16(17)20-25(22,23)18-13-21(19-14(18)2)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3
InChIKeySEQYHLAXTMDYDS-UHFFFAOYSA-N
XLogP3.38
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283238
N-(2-ethoxyphenyl)-3-phenyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42284907
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346
3-tert-butyl-N-(2-methylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 42284724
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283379
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283333) is N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1cn(-c2ccccc2)nc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is SEQYHLAXTMDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-24-17-12-8-7-11-16(17)20-25(22,23)18-13-21(19-14(18)2)15-9-5-4-6-10-15/h4-13,20H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).