1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine

C17H17N3O3S — CID 972343

IUPAC1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-23-14-8-10-15(11-9-14)24(21,22)20-12-16(17(18)19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,18,19)
InChIKeyMCWRCXBTACGDTL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine

1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine (PubChem CID 972343) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
PubChem CID972343
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine
SMILESCCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-23-14-8-10-15(11-9-14)24(21,22)20-12-16(17(18)19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,18,19)
InChIKeyMCWRCXBTACGDTL-UHFFFAOYSA-N
XLogP2.77
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 935379
1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2992755
1-(4-methoxyphenyl)sulfonyl-4-(3,4,5-triethoxyphenyl)pyrazol-3-amine
CID 4016740
1-(benzenesulfonyl)-4-ethylpyrazol-3-amine
CID 972867
4-(3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrazol-3-amine
CID 2992359
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
(3S,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767116
[(3R,4R)-1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766267
6-ethoxy-3-phenylquinolin-2-amine;hydrochloride
CID 43866041
4-ethoxy-1-iodo-2-phenylbenzene
CID 156900261
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine (CID 972343) is 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine is CCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
The InChIKey is MCWRCXBTACGDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-23-14-8-10-15(11-9-14)24(21,22)20-12-16(17(18)19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H2,18,19).
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine?
1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine has a molecular weight of 343.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-4-phenylpyrazol-3-amine is sourced from PubChem (CID 972343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).