4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H17FN4O3S — CID 75416650

IUPAC4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17FN4O3S/c19-15-6-4-12(9-17(15)27(25,26)23-7-1-2-8-23)18(24)21-14-5-3-13-11-20-22-16(13)10-14/h3-6,9-11H,1-2,7-8H2,(H,20,22)(H,21,24)
InChIKeyRLQOEMQMIIPOMB-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.74
Rot. Bonds4

About 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 75416650) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID75416650
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H17FN4O3S/c19-15-6-4-12(9-17(15)27(25,26)23-7-1-2-8-23)18(24)21-14-5-3-13-11-20-22-16(13)10-14/h3-6,9-11H,1-2,7-8H2,(H,20,22)(H,21,24)
InChIKeyRLQOEMQMIIPOMB-UHFFFAOYSA-N
XLogP2.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(1H-indazol-4-ylamino)sulfonyl]phenyl}acetamide
CID 1481964
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138841
N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67457022
N-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]methyl]benzamide
CID 67462136
Tetrahydro-benzodipyrazole deriv. 7c
CID 135403020
4-fluoro-N-(1H-indazol-4-yl)benzamide
CID 1482886
N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2345132
N-(1H-indazol-6-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 2346076

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 75416650) is 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2cn[nH]c2c1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RLQOEMQMIIPOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-15-6-4-12(9-17(15)27(25,26)23-7-1-2-8-23)18(24)21-14-5-3-13-11-20-22-16(13)10-14/h3-6,9-11H,1-2,7-8H2,(H,20,22)(H,21,24).
What are the key properties of 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-indazol-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 75416650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).