N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C19H18ClN5O5S — CID 4855437

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H18ClN5O5S/c20-15-6-5-13(31(28,29)24-7-9-30-10-8-24)11-17(15)21-18(26)12-25-19(27)14-3-1-2-4-16(14)22-23-25/h1-6,11H,7-10,12H2,(H,21,26)
InChIKeyNVKHAHSAWMSAQB-UHFFFAOYSA-N
MW463.90 g/mol
LogP1.10
Rot. Bonds5

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 4855437) has the molecular formula C19H18ClN5O5S and a molecular weight of 463.90 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID4855437
Molecular FormulaC19H18ClN5O5S
Molecular Weight463.90 g/mol
Exact Mass463.07
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H18ClN5O5S/c20-15-6-5-13(31(28,29)24-7-9-30-10-8-24)11-17(15)21-18(26)12-25-19(27)14-3-1-2-4-16(14)22-23-25/h1-6,11H,7-10,12H2,(H,21,26)
InChIKeyNVKHAHSAWMSAQB-UHFFFAOYSA-N
XLogP1.10
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 4855437) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is NVKHAHSAWMSAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O5S/c20-15-6-5-13(31(28,29)24-7-9-30-10-8-24)11-17(15)21-18(26)12-25-19(27)14-3-1-2-4-16(14)22-23-25/h1-6,11H,7-10,12H2,(H,21,26).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 463.90 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 4855437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).