2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

C20H20Cl2N4O4S — CID 68694199

IUPAC2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C20H20Cl2N4O4S/c21-15-6-7-18(16(22)12-15)26-19(14-4-2-1-3-5-14)13-17(23-26)20(27)24-31(28,29)25-8-10-30-11-9-25/h1-7,12,19H,8-11,13H2,(H,24,27)
InChIKeyKBRSQHPIONVJJR-UHFFFAOYSA-N
MW483.38 g/mol
LogP2.99
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide

2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 68694199) has the molecular formula C20H20Cl2N4O4S and a molecular weight of 483.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID68694199
Molecular FormulaC20H20Cl2N4O4S
Molecular Weight483.38 g/mol
Exact Mass482.06
IUPAC Name2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NS(=O)(=O)N1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C20H20Cl2N4O4S/c21-15-6-7-18(16(22)12-15)26-19(14-4-2-1-3-5-14)13-17(23-26)20(27)24-31(28,29)25-8-10-30-11-9-25/h1-7,12,19H,8-11,13H2,(H,24,27)
InChIKeyKBRSQHPIONVJJR-UHFFFAOYSA-N
XLogP2.99
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 68694199) is 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is O=C(NS(=O)(=O)N1CCOCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KBRSQHPIONVJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4S/c21-15-6-7-18(16(22)12-15)26-19(14-4-2-1-3-5-14)13-17(23-26)20(27)24-31(28,29)25-8-10-30-11-9-25/h1-7,12,19H,8-11,13H2,(H,24,27).
What are the key properties of 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 483.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-morpholin-4-ylsulfonyl-3-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 68694199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).