N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide

C15H15N5O4S — CID 166356755

IUPACN-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)cn1
InChIInChI=1S/C15H15N5O4S/c1-2-19-10-13(9-17-19)25(23,24)18-14(21)11-3-5-12(6-4-11)20-8-7-16-15(20)22/h3-10H,2H2,1H3,(H,16,22)(H,18,21)
InChIKeyQVYKSVKEFVAYCB-UHFFFAOYSA-N
MW361.38 g/mol
LogP0.50
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide

N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide (PubChem CID 166356755) has the molecular formula C15H15N5O4S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
PubChem CID166356755
Molecular FormulaC15H15N5O4S
Molecular Weight361.38 g/mol
Exact Mass361.08
IUPAC NameN-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide
SMILESCCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)cn1
InChIInChI=1S/C15H15N5O4S/c1-2-19-10-13(9-17-19)25(23,24)18-14(21)11-3-5-12(6-4-11)20-8-7-16-15(20)22/h3-10H,2H2,1H3,(H,16,22)(H,18,21)
InChIKeyQVYKSVKEFVAYCB-UHFFFAOYSA-N
XLogP0.50
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide (CID 166356755) is N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide is CCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
The InChIKey is QVYKSVKEFVAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S/c1-2-19-10-13(9-17-19)25(23,24)18-14(21)11-3-5-12(6-4-11)20-8-7-16-15(20)22/h3-10H,2H2,1H3,(H,16,22)(H,18,21).
What are the key properties of N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide?
N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide has a molecular weight of 361.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)sulfonyl-4-(2-oxo-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 166356755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).