2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide

C20H19ClN4O4S — CID 142472468

IUPAC2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc2c(n1)CCOC2
InChIInChI=1S/C20H19ClN4O4S/c21-16-4-2-1-3-13(16)9-20(26)23-15-5-6-18(19(10-15)30(22,27)28)25-11-14-12-29-8-7-17(14)24-25/h1-6,10-11H,7-9,12H2,(H,23,26)(H2,22,27,28)
InChIKeyKDLPTVITXXPFIH-UHFFFAOYSA-N
MW446.92 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide (PubChem CID 142472468) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
PubChem CID142472468
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
SMILESNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc2c(n1)CCOC2
InChIInChI=1S/C20H19ClN4O4S/c21-16-4-2-1-3-13(16)9-20(26)23-15-5-6-18(19(10-15)30(22,27)28)25-11-14-12-29-8-7-17(14)24-25/h1-6,10-11H,7-9,12H2,(H,23,26)(H2,22,27,28)
InChIKeyKDLPTVITXXPFIH-UHFFFAOYSA-N
XLogP2.43
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 167200814
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CID 164596484
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2-(2-chlorophenyl)-N-[4-[[4-(3-oxocyclopentyl)phenyl]methyl]-3-sulfamoylphenyl]acetamide
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CID 134603951
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2-(2-chlorophenyl)-N-[4-(1-cyclopropylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide;N-[4-(1-cyclopentylpyrazol-4-yl)-3-sulfamoylphenyl]-2-(2-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide (CID 142472468) is 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide is NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1-n1cc2c(n1)CCOC2.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide?
The InChIKey is KDLPTVITXXPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-16-4-2-1-3-13(16)9-20(26)23-15-5-6-18(19(10-15)30(22,27)28)25-11-14-12-29-8-7-17(14)24-25/h1-6,10-11H,7-9,12H2,(H,23,26)(H2,22,27,28).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide has a molecular weight of 446.92 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide is sourced from PubChem (CID 142472468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).