2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide

C125H208F3N7O14S7 — CID 162225156

IUPAC2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NCC(F)(F)F)c(C(C)(C)C)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO2S.2C19H33NO2S.2C18H31NO2S.C17H27NO2S.C15H22F3NO2S/c1-14(2)16-10-11-18(17(13-16)19(4,5)6)23(21,22)20-12-8-7-9-15(20)3;2*1-10-20(19(7,8)9)23(21,22)17-12-11-15(14(2)3)13-16(17)18(4,5)6;1-13(2)14-10-11-16(15(12-14)17(3,4)5)22(20,21)19(9)18(6,7)8;1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-7-8-15(14(11-13)16(3,4)5)21(19,20)18-17(6)9-10-17;1-10(2)11-6-7-13(12(8-11)14(3,4)5)22(20,21)19-9-15(16,17)18/h10-11,13-15H,7-9,12H2,1-6H3;2*11-14H,10H2,1-9H3;10-13H,1-9H3;10-13,19H,9H2,1-8H3;7-8,11-12,18H,9-10H2,1-6H3;6-8,10,19H,9H2,1-5H3
InChIKeyZUQQRKKISKIRMU-UHFFFAOYSA-N
MW2314.54 g/mol
LogP31.49
Rot. Bonds27

About 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide

2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 162225156) has the molecular formula C125H208F3N7O14S7 and a molecular weight of 2314.54 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID162225156
Molecular FormulaC125H208F3N7O14S7
Molecular Weight2314.54 g/mol
Exact Mass2312.38
IUPAC Name2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NCC(F)(F)F)c(C(C)(C)C)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H31NO2S.2C19H33NO2S.2C18H31NO2S.C17H27NO2S.C15H22F3NO2S/c1-14(2)16-10-11-18(17(13-16)19(4,5)6)23(21,22)20-12-8-7-9-15(20)3;2*1-10-20(19(7,8)9)23(21,22)17-12-11-15(14(2)3)13-16(17)18(4,5)6;1-13(2)14-10-11-16(15(12-14)17(3,4)5)22(20,21)19(9)18(6,7)8;1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-7-8-15(14(11-13)16(3,4)5)21(19,20)18-17(6)9-10-17;1-10(2)11-6-7-13(12(8-11)14(3,4)5)22(20,21)19-9-15(16,17)18/h10-11,13-15H,7-9,12H2,1-6H3;2*11-14H,10H2,1-9H3;10-13H,1-9H3;10-13,19H,9H2,1-8H3;7-8,11-12,18H,9-10H2,1-6H3;6-8,10,19H,9H2,1-5H3
InChIKeyZUQQRKKISKIRMU-UHFFFAOYSA-N
XLogP31.49
TPSA288.03 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.54
LogP ≤ 531.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 162225156) is 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)C(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)N2CCCCC2C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NCC(F)(F)F)c(C(C)(C)C)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCN(C(C)(C)C)S(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ZUQQRKKISKIRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2S.2C19H33NO2S.2C18H31NO2S.C17H27NO2S.C15H22F3NO2S/c1-14(2)16-10-11-18(17(13-16)19(4,5)6)23(21,22)20-12-8-7-9-15(20)3;2*1-10-20(19(7,8)9)23(21,22)17-12-11-15(14(2)3)13-16(17)18(4,5)6;1-13(2)14-10-11-16(15(12-14)17(3,4)5)22(20,21)19(9)18(6,7)8;1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-7-8-15(14(11-13)16(3,4)5)21(19,20)18-17(6)9-10-17;1-10(2)11-6-7-13(12(8-11)14(3,4)5)22(20,21)19-9-15(16,17)18/h10-11,13-15H,7-9,12H2,1-6H3;2*11-14H,10H2,1-9H3;10-13H,1-9H3;10-13,19H,9H2,1-8H3;7-8,11-12,18H,9-10H2,1-6H3;6-8,10,19H,9H2,1-5H3.
What are the key properties of 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide?
2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 2314.54 g/mol, XLogP of 31.49, 27 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(1-methylcyclopropyl)-4-propan-2-ylbenzenesulfonamide;1-(2-tert-butyl-4-propan-2-ylphenyl)sulfonyl-2-methylpiperidine;2-tert-butyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide;bis(N,2-ditert-butyl-N-ethyl-4-propan-2-ylbenzenesulfonamide);N,2-ditert-butyl-N-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 162225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).