4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole

C18H26N4O2S — CID 72908652

IUPAC4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
SMILESCCN(C)S(=O)(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-5-21(4)25(23,24)20-16-11-18(2,3)12-17-15(16)13-19-22(17)14-9-7-6-8-10-14/h6-10,13,16,20H,5,11-12H2,1-4H3
InChIKeyVRCNUORHPUBMOG-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.67
Rot. Bonds5

About 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole

4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole (PubChem CID 72908652) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole.

Molecular Properties

Compound Name4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
PubChem CID72908652
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole
SMILESCCN(C)S(=O)(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H26N4O2S/c1-5-21(4)25(23,24)20-16-11-18(2,3)12-17-15(16)13-19-22(17)14-9-7-6-8-10-14/h6-10,13,16,20H,5,11-12H2,1-4H3
InChIKeyVRCNUORHPUBMOG-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97145897
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-[(4R)-1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyrrolidine-1-sulfonamide
CID 97155402
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42415043
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]pyridine-3-sulfonamide
CID 97131957
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-[(4S)-3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 939265
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
CID 45253119

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole?
The IUPAC name of 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole (CID 72908652) is 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole.
What is the SMILES notation for 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole?
The canonical SMILES for 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole is CCN(C)S(=O)(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole?
The InChIKey is VRCNUORHPUBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-21(4)25(23,24)20-16-11-18(2,3)12-17-15(16)13-19-22(17)14-9-7-6-8-10-14/h6-10,13,16,20H,5,11-12H2,1-4H3.
What are the key properties of 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole?
4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole has a molecular weight of 362.50 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)sulfamoyl]amino]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazole is sourced from PubChem (CID 72908652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).