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

C21H25N5O3S — CID 134812845

IUPACN-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)
InChIKeyUCBIQZUJJSVQHL-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.58
Rot. Bonds8

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

N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 134812845) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID134812845
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1
InChIInChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27)
InChIKeyUCBIQZUJJSVQHL-UHFFFAOYSA-N
XLogP3.58
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
N-[6-(4-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539597
N-[6-(3-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539598
N-[6-(3-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539599

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide (CID 134812845) is N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is CCN(CC)S(=O)(=O)Nc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is UCBIQZUJJSVQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,24,27).
What are the key properties of N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 427.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134812845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).