1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)

C110H136N20O15S5 — CID 157413575

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/2C23H30N4O3S.C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c2*1-14(2)19-9-16(5)10-20(15(3)4)22(19)25-23(28)26-31(29,30)13-17-7-8-18-12-24-27(6)21(18)11-17;1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-17-11-23-25-20(17)10-16;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-16-11-22-24-19(16)9-13;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-16-11-22-24-19(16)10-15/h2*7-12,14-15H,13H2,1-6H3,(H2,25,26,28);6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);7-11H,1-6,12H2,(H,22,24)(H2,23,25,26);5-11,13-14H,12H2,1-4H3,(H,22,24)(H2,23,25,26)
InChIKeyBOOQJQXBTKWHTA-UHFFFAOYSA-N
MW2138.76 g/mol
LogP21.98
Rot. Bonds28

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)

1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) (PubChem CID 157413575) has the molecular formula C110H136N20O15S5 and a molecular weight of 2138.76 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea).

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
PubChem CID157413575
Molecular FormulaC110H136N20O15S5
Molecular Weight2138.76 g/mol
Exact Mass2136.91
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/2C23H30N4O3S.C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c2*1-14(2)19-9-16(5)10-20(15(3)4)22(19)25-23(28)26-31(29,30)13-17-7-8-18-12-24-27(6)21(18)11-17;1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-17-11-23-25-20(17)10-16;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-16-11-22-24-19(16)9-13;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-16-11-22-24-19(16)10-15/h2*7-12,14-15H,13H2,1-6H3,(H2,25,26,28);6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);7-11H,1-6,12H2,(H,22,24)(H2,23,25,26);5-11,13-14H,12H2,1-4H3,(H,22,24)(H2,23,25,26)
InChIKeyBOOQJQXBTKWHTA-UHFFFAOYSA-N
XLogP21.98
TPSA498.03 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002138.76
LogP ≤ 521.98
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) with MolForge

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Related Compounds

1-[[carbamoylsulfamoyl(1H-indazol-6-yl)amino]-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)sulfamoyl]-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1-(1-methylindazol-6-yl)urea
CID 130345203
1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-propan-2-yl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 158651104
1-[Benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;bis(1-[benzyl-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(4-ethylpiperazin-1-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 159205807
1-butyl-3-(1-methylindazol-6-yl)thiourea;4-isocyano-N-(1-methylindazol-6-yl)butane-1-sulfonamide;N-(1-methylindazol-6-yl)cyclohexanesulfonamide;N-(3-methyl-1H-isoindol-5-yl)butane-1-sulfonamide;N-[1-(trideuteriomethyl)indazol-6-yl]butane-1-sulfonamide;N-[1-(trideuteriomethyl)indazol-6-yl]pentane-1-sulfonamide
CID 157143782
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 157159664
1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(2-methyl-2H-pyrrol-5-yl)methyl]sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157286278
1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole
CID 157358686
1-[benzyl-[(1-methylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[benzyl-[(1-propan-2-ylpyrazol-3-yl)methyl]sulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindol-6-yl)methylsulfonyl]urea
CID 157419357
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylindazol-5-yl)methylsulfonyl]urea
CID 157506360
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)
CID 158701077
1-[2,6-Di(propan-2-yl)phenyl]-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-[(1-methylbenzotriazol-5-yl)methylsulfonyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[(3-methylbenzotriazol-5-yl)methylsulfonyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-[(1-methylbenzotriazol-5-yl)sulfamoyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 159394116
1-[2,6-Di(propan-2-yl)phenyl]-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;1-[2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-methylbenzotriazol-5-yl)methylsulfonyl]urea;bis(1-[(3-methylbenzotriazol-5-yl)methylsulfonyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea)
CID 159950822

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) (CID 157413575) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea).
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cn[nH]c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)Cc2ccc3cnn(C)c3c2)c(C(C)C)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?
The InChIKey is BOOQJQXBTKWHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H30N4O3S.C22H28N4O3S.C21H22N4O3S.C21H26N4O3S/c2*1-14(2)19-9-16(5)10-20(15(3)4)22(19)25-23(28)26-31(29,30)13-17-7-8-18-12-24-27(6)21(18)11-17;1-13(2)18-8-15(5)9-19(14(3)4)21(18)24-22(27)26-30(28,29)12-16-6-7-17-11-23-25-20(17)10-16;26-21(23-20-17-5-1-3-14(17)10-15-4-2-6-18(15)20)25-29(27,28)12-13-7-8-16-11-22-24-19(16)9-13;1-13(2)17-6-5-7-18(14(3)4)20(17)23-21(26)25-29(27,28)12-15-8-9-16-11-22-24-19(16)10-15/h2*7-12,14-15H,13H2,1-6H3,(H2,25,26,28);6-11,13-14H,12H2,1-5H3,(H,23,25)(H2,24,26,27);7-11H,1-6,12H2,(H,22,24)(H2,23,25,26);5-11,13-14H,12H2,1-4H3,(H,22,24)(H2,23,25,26).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea)?
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) has a molecular weight of 2138.76 g/mol, XLogP of 21.98, 28 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-6-ylmethylsulfonyl)urea;1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;bis(1-[4-methyl-2,6-di(propan-2-yl)phenyl]-3-[(1-methylindazol-6-yl)methylsulfonyl]urea) is sourced from PubChem (CID 157413575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).