N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide

C20H28N4O3S — CID 97156493

IUPACN-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O3S/c1-15-6-4-5-7-18(15)24-19-13-20(2,3)12-17(16(19)14-21-24)22-28(25,26)23-8-10-27-11-9-23/h4-7,14,17,22H,8-13H2,1-3H3/t17-/m0/s1
InChIKeyLCSCCZUXBBEKLY-KRWDZBQOSA-N
MW404.54 g/mol
LogP2.36
Rot. Bonds4

About N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide

N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide (PubChem CID 97156493) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
PubChem CID97156493
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
SMILESCc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H28N4O3S/c1-15-6-4-5-7-18(15)24-19-13-20(2,3)12-17(16(19)14-21-24)22-28(25,26)23-8-10-27-11-9-23/h4-7,14,17,22H,8-13H2,1-3H3/t17-/m0/s1
InChIKeyLCSCCZUXBBEKLY-KRWDZBQOSA-N
XLogP2.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide with MolForge

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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-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
CID 26327369
N-(furan-3-ylmethyl)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
CID 45208161
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97155402
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N'-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-N-propyloxamide
CID 72853657
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 25370066
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 24791220
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
CID 72908652
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-1-sulfonamide
CID 72863166
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
CID 24817088
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carboxamide
CID 42457754

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide (CID 97156493) is N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide is Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@@H]2NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide?
The InChIKey is LCSCCZUXBBEKLY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-15-6-4-5-7-18(15)24-19-13-20(2,3)12-17(16(19)14-21-24)22-28(25,26)23-8-10-27-11-9-23/h4-7,14,17,22H,8-13H2,1-3H3/t17-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide?
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 97156493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).