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

C20H19N3O3S — CID 8823620

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-20(14(2)23(3)21-13)27(24,25)22-17-10-8-15(9-11-17)19-12-16-6-4-5-7-18(16)26-19/h4-12,22H,1-3H3
InChIKeyMELAVVBNOYMQBQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.25
Rot. Bonds4

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

N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 8823620) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID8823620
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-20(14(2)23(3)21-13)27(24,25)22-17-10-8-15(9-11-17)19-12-16-6-4-5-7-18(16)26-19/h4-12,22H,1-3H3
InChIKeyMELAVVBNOYMQBQ-UHFFFAOYSA-N
XLogP4.25
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 8823620) is N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MELAVVBNOYMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-20(14(2)23(3)21-13)27(24,25)22-17-10-8-15(9-11-17)19-12-16-6-4-5-7-18(16)26-19/h4-12,22H,1-3H3.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 8823620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).