N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide

C17H16ClN5O3S — CID 169144957

IUPACN-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ccccn1
InChIInChI=1S/C17H16ClN5O3S/c1-23-16(14-5-3-4-6-19-14)10-15(21-23)17(24)20-12-7-11(18)8-13(9-12)22-27(2,25)26/h3-10,22H,1-2H3,(H,20,24)
InChIKeyRNZDLNPLNQJANP-UHFFFAOYSA-N
MW405.87 g/mol
LogP2.76
Rot. Bonds5

About N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide

N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 169144957) has the molecular formula C17H16ClN5O3S and a molecular weight of 405.87 g/mol. Its IUPAC name is N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID169144957
Molecular FormulaC17H16ClN5O3S
Molecular Weight405.87 g/mol
Exact Mass405.07
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ccccn1
InChIInChI=1S/C17H16ClN5O3S/c1-23-16(14-5-3-4-6-19-14)10-15(21-23)17(24)20-12-7-11(18)8-13(9-12)22-27(2,25)26/h3-10,22H,1-2H3,(H,20,24)
InChIKeyRNZDLNPLNQJANP-UHFFFAOYSA-N
XLogP2.76
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide (CID 169144957) is N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cc(Cl)cc(NS(C)(=O)=O)c2)cc1-c1ccccn1.
What is the InChIKey of N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is RNZDLNPLNQJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3S/c1-23-16(14-5-3-4-6-19-14)10-15(21-23)17(24)20-12-7-11(18)8-13(9-12)22-27(2,25)26/h3-10,22H,1-2H3,(H,20,24).
What are the key properties of N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide?
N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 405.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(methanesulfonamido)phenyl]-1-methyl-5-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 169144957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).