N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide

C16H14ClN5O3S — CID 143531133

IUPACN-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O3S/c17-14-8-13(26(18,24)25)4-2-11(14)9-20-16(23)12-3-5-15(19-10-12)22-7-1-6-21-22/h1-8,10H,9H2,(H,20,23)(H2,18,24,25)
InChIKeyWHJZATFMDDWUHH-UHFFFAOYSA-N
MW391.84 g/mol
LogP1.50
Rot. Bonds5

About N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide

N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 143531133) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID143531133
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC NameN-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O3S/c17-14-8-13(26(18,24)25)4-2-11(14)9-20-16(23)12-3-5-15(19-10-12)22-7-1-6-21-22/h1-8,10H,9H2,(H,20,23)(H2,18,24,25)
InChIKeyWHJZATFMDDWUHH-UHFFFAOYSA-N
XLogP1.50
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-chlorophenyl)-N-[(2-chloro-4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 143530829
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 25470960
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 51095820
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24742160
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
N-cyclohexyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654230
N-(3-fluorophenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 16654238
6-fluoro-N-[(3-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 63978563
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55764817

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide (CID 143531133) is N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3cccn3)nc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is WHJZATFMDDWUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-14-8-13(26(18,24)25)4-2-11(14)9-20-16(23)12-3-5-15(19-10-12)22-7-1-6-21-22/h1-8,10H,9H2,(H,20,23)(H2,18,24,25).
What are the key properties of N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide?
N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 391.84 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-sulfamoylphenyl)methyl]-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 143531133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).