N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine

C143H224ClF4N9O18S7 — CID 158285090

IUPACN-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine
SMILESCC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(C)(C)O)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(F)c1C(C)(C)O.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)O)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)O)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCNC(C)c1ccc(C(C)C)c2ccccc12.CCNCc1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H31NO2S.C17H29NO2S.C17H23N.C16H27NO3S.C16H21N.C15H24ClNO3S.C15H24FNO3S.C15H25NO3S.C14H20F3NO2S/c1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-9-10-15(14(11-13)16(3,4)5)21(19,20)18-17(6,7)8;1-5-18-13(4)15-11-10-14(12(2)3)16-8-6-7-9-17(15)16;1-11(2)12-8-9-14(13(10-12)16(6,7)18)21(19,20)17-15(3,4)5;1-4-17-11-13-9-10-14(12(2)3)16-8-6-5-7-15(13)16;1-9(2)11-7-8-12(13(10(3)18)14(11)16)21(19,20)17-15(4,5)6;1-9(2)11-7-8-12(21(19,20)17-10(3)4)13(14(11)16)15(5,6)18;1-10(2)13-8-7-12(9-14(13)15(5,6)17)20(18,19)16-11(3)4;1-9(2)10-6-7-12(11(8-10)14(15,16)17)21(19,20)18-13(3,4)5/h10-13,19H,9H2,1-8H3;9-12,18H,1-8H3;6-13,18H,5H2,1-4H3;8-11,17-18H,1-7H3;5-10,12,17H,4,11H2,1-3H3;2*7-10,17-18H,1-6H3;7-11,16-17H,1-6H3;6-9,18H,1-5H3
InChIKeyGKRJUVGVDRINNQ-UHFFFAOYSA-N
MW2693.32 g/mol
LogP33.67
Rot. Bonds37

About N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine

N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine (PubChem CID 158285090) has the molecular formula C143H224ClF4N9O18S7 and a molecular weight of 2693.32 g/mol. Its IUPAC name is N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine
PubChem CID158285090
Molecular FormulaC143H224ClF4N9O18S7
Molecular Weight2693.32 g/mol
Exact Mass2690.46
IUPAC NameN-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine
SMILESCC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(C)(C)O)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(F)c1C(C)(C)O.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)O)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)O)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCNC(C)c1ccc(C(C)C)c2ccccc12.CCNCc1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H31NO2S.C17H29NO2S.C17H23N.C16H27NO3S.C16H21N.C15H24ClNO3S.C15H24FNO3S.C15H25NO3S.C14H20F3NO2S/c1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-9-10-15(14(11-13)16(3,4)5)21(19,20)18-17(6,7)8;1-5-18-13(4)15-11-10-14(12(2)3)16-8-6-7-9-17(15)16;1-11(2)12-8-9-14(13(10-12)16(6,7)18)21(19,20)17-15(3,4)5;1-4-17-11-13-9-10-14(12(2)3)16-8-6-5-7-15(13)16;1-9(2)11-7-8-12(13(10(3)18)14(11)16)21(19,20)17-15(4,5)6;1-9(2)11-7-8-12(21(19,20)17-10(3)4)13(14(11)16)15(5,6)18;1-10(2)13-8-7-12(9-14(13)15(5,6)17)20(18,19)16-11(3)4;1-9(2)10-6-7-12(11(8-10)14(15,16)17)21(19,20)18-13(3,4)5/h10-13,19H,9H2,1-8H3;9-12,18H,1-8H3;6-13,18H,5H2,1-4H3;8-11,17-18H,1-7H3;5-10,12,17H,4,11H2,1-3H3;2*7-10,17-18H,1-6H3;7-11,16-17H,1-6H3;6-9,18H,1-5H3
InChIKeyGKRJUVGVDRINNQ-UHFFFAOYSA-N
XLogP33.67
TPSA428.17 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002693.32
LogP ≤ 533.67
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Analyze N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine (CID 158285090) is N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine is CC(C)NS(=O)(=O)c1ccc(C(C)C)c(C(C)(C)O)c1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c(F)c1C(C)(C)O.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)C)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)(C)O)c1.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(C)O)c1Cl.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c(C(F)(F)F)c1.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)cc1C(C)(C)C.CCNC(C)c1ccc(C(C)C)c2ccccc12.CCNCc1ccc(C(C)C)c2ccccc12.
What is the InChIKey of N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine?
The InChIKey is GKRJUVGVDRINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2S.C17H29NO2S.C17H23N.C16H27NO3S.C16H21N.C15H24ClNO3S.C15H24FNO3S.C15H25NO3S.C14H20F3NO2S/c1-9-18(7,8)19-22(20,21)16-11-10-14(13(2)3)12-15(16)17(4,5)6;1-12(2)13-9-10-15(14(11-13)16(3,4)5)21(19,20)18-17(6,7)8;1-5-18-13(4)15-11-10-14(12(2)3)16-8-6-7-9-17(15)16;1-11(2)12-8-9-14(13(10-12)16(6,7)18)21(19,20)17-15(3,4)5;1-4-17-11-13-9-10-14(12(2)3)16-8-6-5-7-15(13)16;1-9(2)11-7-8-12(13(10(3)18)14(11)16)21(19,20)17-15(4,5)6;1-9(2)11-7-8-12(21(19,20)17-10(3)4)13(14(11)16)15(5,6)18;1-10(2)13-8-7-12(9-14(13)15(5,6)17)20(18,19)16-11(3)4;1-9(2)10-6-7-12(11(8-10)14(15,16)17)21(19,20)18-13(3,4)5/h10-13,19H,9H2,1-8H3;9-12,18H,1-8H3;6-13,18H,5H2,1-4H3;8-11,17-18H,1-7H3;5-10,12,17H,4,11H2,1-3H3;2*7-10,17-18H,1-6H3;7-11,16-17H,1-6H3;6-9,18H,1-5H3.
What are the key properties of N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine?
N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine has a molecular weight of 2693.32 g/mol, XLogP of 33.67, 37 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-chloro-2-(1-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-2-(2-hydroxypropan-2-yl)-4-propan-2-ylbenzenesulfonamide;2-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylbenzenesulfonamide;N-tert-butyl-4-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide;N,2-ditert-butyl-4-propan-2-ylbenzenesulfonamide;N-ethyl-1-(4-propan-2-ylnaphthalen-1-yl)ethanamine;3-fluoro-2-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;3-(2-hydroxypropan-2-yl)-N,4-di(propan-2-yl)benzenesulfonamide;N-[(4-propan-2-ylnaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 158285090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).