N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide

C21H22N4O3S — CID 155535984

IUPACN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CCC1
InChIInChI=1S/C21H22N4O3S/c26-21(13-3-1-4-13)22-20-18-10-7-15(12-19(18)23-24-20)14-5-2-6-16(11-14)25-29(27,28)17-8-9-17/h2,5-7,10-13,17,25H,1,3-4,8-9H2,(H2,22,23,24,26)
InChIKeyWFVBZIPZZOGFIA-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.87
Rot. Bonds6

About N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide

N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide (PubChem CID 155535984) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
PubChem CID155535984
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CCC1
InChIInChI=1S/C21H22N4O3S/c26-21(13-3-1-4-13)22-20-18-10-7-15(12-19(18)23-24-20)14-5-2-6-16(11-14)25-29(27,28)17-8-9-17/h2,5-7,10-13,17,25H,1,3-4,8-9H2,(H2,22,23,24,26)
InChIKeyWFVBZIPZZOGFIA-UHFFFAOYSA-N
XLogP3.87
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]-2-methylpropanamide
CID 146121078
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[6-(3-methylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065843
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69059640
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-[6-(4-ethylsulfanylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69062286
N-[6-[3-(diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155807685
N-(6-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide (CID 155535984) is N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide is O=C(Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12)C1CCC1.
What is the InChIKey of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide?
The InChIKey is WFVBZIPZZOGFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-21(13-3-1-4-13)22-20-18-10-7-15(12-19(18)23-24-20)14-5-2-6-16(11-14)25-29(27,28)17-8-9-17/h2,5-7,10-13,17,25H,1,3-4,8-9H2,(H2,22,23,24,26).
What are the key properties of N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide?
N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 155535984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).