N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide

C19H21N3O3S — CID 42283394

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cn(-c3ccccc3)nc2C)c1
InChIInChI=1S/C19H21N3O3S/c1-15-19(14-22(21-15)17-8-4-3-5-9-17)26(23,24)20-12-11-16-7-6-10-18(13-16)25-2/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyZKXMZBZJEPNETB-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide

N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283394) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283394
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2cn(-c3ccccc3)nc2C)c1
InChIInChI=1S/C19H21N3O3S/c1-15-19(14-22(21-15)17-8-4-3-5-9-17)26(23,24)20-12-11-16-7-6-10-18(13-16)25-2/h3-10,13-14,20H,11-12H2,1-2H3
InChIKeyZKXMZBZJEPNETB-UHFFFAOYSA-N
XLogP2.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[2-(3-methoxyphenyl)ethyl]-1-phenylpyrazole-4-sulfonamide
CID 42344985
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
3-methyl-N-pentyl-1-phenylpyrazole-4-sulfonamide
CID 42283296
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
3-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
CID 42283279
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283238
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-sulfonamide
CID 42283291
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283394) is N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide is COc1cccc(CCNS(=O)(=O)c2cn(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is ZKXMZBZJEPNETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-15-19(14-22(21-15)17-8-4-3-5-9-17)26(23,24)20-12-11-16-7-6-10-18(13-16)25-2/h3-10,13-14,20H,11-12H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).