3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide

C19H20N4O4S — CID 32610219

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-27-17-7-9-18(10-8-17)28(25,26)22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24)
InChIKeyXKUBKONVUBOWEG-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.87
Rot. Bonds7

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 32610219) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID32610219
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1
InChIInChI=1S/C19H20N4O4S/c1-3-27-17-7-9-18(10-8-17)28(25,26)22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24)
InChIKeyXKUBKONVUBOWEG-UHFFFAOYSA-N
XLogP2.87
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide (CID 32610219) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cnn(C)c3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is XKUBKONVUBOWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-27-17-7-9-18(10-8-17)28(25,26)22-15-6-4-5-14(11-15)19(24)21-16-12-20-23(2)13-16/h4-13,22H,3H2,1-2H3,(H,21,24).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 32610219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).