N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide

C19H25FN4O2S — CID 97155402

IUPACN-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NS(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C19H25FN4O2S/c1-19(2)11-17(22-27(25,26)23-8-3-4-9-23)16-13-21-24(18(16)12-19)15-7-5-6-14(20)10-15/h5-7,10,13,17,22H,3-4,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyPVLQRKBYYRSEQV-QGZVFWFLSA-N
MW392.50 g/mol
LogP2.96
Rot. Bonds4

About N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide

N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide (PubChem CID 97155402) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
PubChem CID97155402
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC NameN-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
SMILESCC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NS(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C19H25FN4O2S/c1-19(2)11-17(22-27(25,26)23-8-3-4-9-23)16-13-21-24(18(16)12-19)15-7-5-6-14(20)10-15/h5-7,10,13,17,22H,3-4,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyPVLQRKBYYRSEQV-QGZVFWFLSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97145897
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
3-[[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 26335145
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(methylamino)acetamide;hydrochloride
CID 154898311
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide
CID 42213796
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
CID 72908652
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321370
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 26321368
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
N-[(4S)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 97117627
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 72857429

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide (CID 97155402) is N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide is CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NS(=O)(=O)N2CCCC2)C1.
What is the InChIKey of N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide?
The InChIKey is PVLQRKBYYRSEQV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-19(2)11-17(22-27(25,26)23-8-3-4-9-23)16-13-21-24(18(16)12-19)15-7-5-6-14(20)10-15/h5-7,10,13,17,22H,3-4,8-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide?
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 97155402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).