N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H13ClN4O3S — CID 58628533

IUPACN-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C19H13ClN4O3S/c20-14-6-4-5-13(11-14)16-12-21-24-10-9-17(22-18(16)24)19(25)23-28(26,27)15-7-2-1-3-8-15/h1-12H,(H,23,25)
InChIKeyTZSUPRKVBJFHBA-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.17
Rot. Bonds4

About N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628533) has the molecular formula C19H13ClN4O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628533
Molecular FormulaC19H13ClN4O3S
Molecular Weight412.86 g/mol
Exact Mass412.04
IUPAC NameN-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C19H13ClN4O3S/c20-14-6-4-5-13(11-14)16-12-21-24-10-9-17(22-18(16)24)19(25)23-28(26,27)15-7-2-1-3-8-15/h1-12H,(H,23,25)
InChIKeyTZSUPRKVBJFHBA-UHFFFAOYSA-N
XLogP3.17
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628533) is N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is TZSUPRKVBJFHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O3S/c20-14-6-4-5-13(11-14)16-12-21-24-10-9-17(22-18(16)24)19(25)23-28(26,27)15-7-2-1-3-8-15/h1-12H,(H,23,25).
What are the key properties of N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 412.86 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).