N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

C21H24N4O3S — CID 155807685

IUPACN-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H24N4O3S/c1-3-25(4-2)29(27,28)17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(26)14-8-9-14/h5-7,10-14H,3-4,8-9H2,1-2H3,(H2,22,23,24,26)
InChIKeyJPWTZNZIWQIJSJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.61
Rot. Bonds7

About N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 155807685) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID155807685
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H24N4O3S/c1-3-25(4-2)29(27,28)17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(26)14-8-9-14/h5-7,10-14H,3-4,8-9H2,1-2H3,(H2,22,23,24,26)
InChIKeyJPWTZNZIWQIJSJ-UHFFFAOYSA-N
XLogP3.61
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
CID 155535984
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
CID 146121078
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-(6-phenyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 10214741
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 144598761
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 155807685) is N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CCN(CC)S(=O)(=O)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is JPWTZNZIWQIJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-25(4-2)29(27,28)17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(26)14-8-9-14/h5-7,10-14H,3-4,8-9H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155807685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).