N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide

C25H25FN4O2S — CID 74324161

IUPACN-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H25FN4O2S/c1-17-6-7-18(2)25(14-17)33(31,32)28-20-12-13-29(16-20)23-4-3-5-24-22(23)15-27-30(24)21-10-8-19(26)9-11-21/h3-11,14-15,20,28H,12-13,16H2,1-2H3
InChIKeyMGZDAJOAMMPIOJ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.34
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide

N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 74324161) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID74324161
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC NameN-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H25FN4O2S/c1-17-6-7-18(2)25(14-17)33(31,32)28-20-12-13-29(16-20)23-4-3-5-24-22(23)15-27-30(24)21-10-8-19(26)9-11-21/h3-11,14-15,20,28H,12-13,16H2,1-2H3
InChIKeyMGZDAJOAMMPIOJ-UHFFFAOYSA-N
XLogP4.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 74324563
N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24816318
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 167337299
5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 24815055
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
5-fluoro-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylbenzenesulfonamide
CID 86966758
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
5-fluoro-N-[(3R)-1-(1H-indol-4-ylmethyl)pyrrolidin-3-yl]-2-methylbenzenesulfonamide
CID 25036690
2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142903
N-[1-(4-fluorophenyl)piperidin-4-yl]-2-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 171914789

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide (CID 74324161) is N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCN(c3cccc4c3cnn4-c3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MGZDAJOAMMPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c1-17-6-7-18(2)25(14-17)33(31,32)28-20-12-13-29(16-20)23-4-3-5-24-22(23)15-27-30(24)21-10-8-19(26)9-11-21/h3-11,14-15,20,28H,12-13,16H2,1-2H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide?
N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 464.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 74324161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).