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

C20H21FN4O2S — CID 97131957

IUPACN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C20H21FN4O2S/c1-20(2)10-18(24-28(26,27)16-4-3-9-22-12-16)17-13-23-25(19(17)11-20)15-7-5-14(21)6-8-15/h3-9,12-13,18,24H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyNKPHOGUOCSULJR-SFHVURJKSA-N
MW400.48 g/mol
LogP3.40
Rot. Bonds4

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

N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide (PubChem CID 97131957) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide
PubChem CID97131957
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C20H21FN4O2S/c1-20(2)10-18(24-28(26,27)16-4-3-9-22-12-16)17-13-23-25(19(17)11-20)15-7-5-14(21)6-8-15/h3-9,12-13,18,24H,10-11H2,1-2H3/t18-/m0/s1
InChIKeyNKPHOGUOCSULJR-SFHVURJKSA-N
XLogP3.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
(4R)-1-(3-fluorophenyl)-6,6-dimethyl-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-indazol-4-amine
CID 42198957
3-[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 45239308
4-[[[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]amino]methyl]phenol
CID 45195645
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97155402
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
CID 72908652
1-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propylurea
CID 72905767
1-acetyl-N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]piperidine-4-carboxamide
CID 26397040
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97145897
2-(diethylamino)-N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25364173
N-[1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24791444
1-(4-fluorophenyl)-6,6-dimethyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45172656

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide (CID 97131957) is N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H](NS(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide?
The InChIKey is NKPHOGUOCSULJR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-20(2)10-18(24-28(26,27)16-4-3-9-22-12-16)17-13-23-25(19(17)11-20)15-7-5-14(21)6-8-15/h3-9,12-13,18,24H,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide?
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide has a molecular weight of 400.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97131957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).