5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide

C23H27FN4O3S — CID 176664783

IUPAC5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCC3)c3cc(N)ccc23)ccc1F
InChIInChI=1S/C23H27FN4O3S/c1-23(2,3)27-32(30,31)20-12-14(8-11-18(20)24)22(29)21-17-10-9-15(25)13-19(17)28(26-21)16-6-4-5-7-16/h8-13,16,27H,4-7,25H2,1-3H3
InChIKeyVMWRYVPIMJCHMG-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.18
Rot. Bonds5

About 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide

5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide (PubChem CID 176664783) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
PubChem CID176664783
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCC3)c3cc(N)ccc23)ccc1F
InChIInChI=1S/C23H27FN4O3S/c1-23(2,3)27-32(30,31)20-12-14(8-11-18(20)24)22(29)21-17-10-9-15(25)13-19(17)28(26-21)16-6-4-5-7-16/h8-13,16,27H,4-7,25H2,1-3H3
InChIKeyVMWRYVPIMJCHMG-UHFFFAOYSA-N
XLogP4.18
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(6-amino-3-(4-methylbenzoyl)-2H-indazol-2-yl)propanamide
CID 24856180
1-[(1-methyl-1H-indazol-3-yl)carbonyl]-8-(phenylsulfonyl)-1,4,8-triazacycloundecan-5-one
CID 110200839
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 132459909
5-[(2R)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146198676
5-[2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146211877
N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 153000200
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
N-[3-(cyclopropylsulfamoyl)phenyl]-2-[(3,3-difluorocyclopentyl)methyl]-7-fluoroindazole-3-carboxamide
CID 171771882
2-[(3,3-difluorocyclopentyl)methyl]-7-methyl-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771896
2-[(3,3-difluorocyclopentyl)methyl]-7-fluoro-N-[3-(methylsulfamoyl)phenyl]indazole-3-carboxamide
CID 171771936
2-[(3,3-difluorocyclopentyl)methyl]-6-methyl-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771955
2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771992

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide (CID 176664783) is 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCC3)c3cc(N)ccc23)ccc1F.
What is the InChIKey of 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The InChIKey is VMWRYVPIMJCHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-23(2,3)27-32(30,31)20-12-14(8-11-18(20)24)22(29)21-17-10-9-15(25)13-19(17)28(26-21)16-6-4-5-7-16/h8-13,16,27H,4-7,25H2,1-3H3.
What are the key properties of 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide has a molecular weight of 458.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176664783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).