[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate

C19H14ClN5O4S — CID 69287822

IUPAC[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1cccc(NC(=O)Oc2cnn3ccc(-c4ccc(Cl)cc4)nc23)c1
InChIInChI=1S/C19H14ClN5O4S/c20-13-6-4-12(5-7-13)16-8-9-25-18(24-16)17(11-22-25)29-19(26)23-14-2-1-3-15(10-14)30(21,27)28/h1-11H,(H,23,26)(H2,21,27,28)
InChIKeyLTRDMYVLLTYXNT-UHFFFAOYSA-N
MW443.87 g/mol
LogP3.31
Rot. Bonds4

About [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate

[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate (PubChem CID 69287822) has the molecular formula C19H14ClN5O4S and a molecular weight of 443.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
PubChem CID69287822
Molecular FormulaC19H14ClN5O4S
Molecular Weight443.87 g/mol
Exact Mass443.05
IUPAC Name[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
SMILESNS(=O)(=O)c1cccc(NC(=O)Oc2cnn3ccc(-c4ccc(Cl)cc4)nc23)c1
InChIInChI=1S/C19H14ClN5O4S/c20-13-6-4-12(5-7-13)16-8-9-25-18(24-16)17(11-22-25)29-19(26)23-14-2-1-3-15(10-14)30(21,27)28/h1-11H,(H,23,26)(H2,21,27,28)
InChIKeyLTRDMYVLLTYXNT-UHFFFAOYSA-N
XLogP3.31
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[3-ethoxy-4-(trifluoromethyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate
CID 87768470
[5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-methylsulfonylphenyl)carbamate
CID 87767637
[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-morpholin-4-ylsulfonylphenyl)carbamate
CID 69289397
[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl] N-[3-(cyclopropylsulfamoyl)phenyl]carbamate
CID 69288143
5-(3,4-dichlorophenyl)-7-(difluoromethyl)-N-(3-sulfamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11656447
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
2-(2,5-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7185045
5-(4-chlorophenyl)-7-(difluoromethyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 69293088
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
2-(2-chlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7815815

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate?
The IUPAC name of [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate (CID 69287822) is [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate.
What is the SMILES notation for [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate?
The canonical SMILES for [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate is NS(=O)(=O)c1cccc(NC(=O)Oc2cnn3ccc(-c4ccc(Cl)cc4)nc23)c1.
What is the InChIKey of [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate?
The InChIKey is LTRDMYVLLTYXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O4S/c20-13-6-4-12(5-7-13)16-8-9-25-18(24-16)17(11-22-25)29-19(26)23-14-2-1-3-15(10-14)30(21,27)28/h1-11H,(H,23,26)(H2,21,27,28).
What are the key properties of [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate?
[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate has a molecular weight of 443.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl] N-(3-sulfamoylphenyl)carbamate is sourced from PubChem (CID 69287822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).