N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide

C123H174F4N14O15S7 — CID 158140795

IUPACN-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNC2CC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNC2CCCCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc3c2CCCC3)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CCC2.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O2S.C19H23F3N2O2S.C18H24N2O3S.C17H21FN2O2S.2C17H28N2O2S.C14H22N2O2S/c1-21(2,3)26(24,25)23-18-13-11-16(12-14-18)15-22-20-10-6-8-17-7-4-5-9-19(17)20;1-18(2,3)27(25,26)24-17-10-6-15(7-11-17)13-23-12-14-4-8-16(9-5-14)19(20,21)22;1-18(2,3)24(21,22)20-16-7-5-14(6-8-16)13-19-15-9-11-17(23-4)12-10-15;1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15;1-17(2,3)22(20,21)19-16-11-9-14(10-12-16)13-18-15-7-5-4-6-8-15;1-14(2)22(20,21)19-12-5-3-4-11-18-17-10-9-15-7-6-8-16(15)13-17;1-14(2,3)19(17,18)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h6,8,10-14,22-23H,4-5,7,9,15H2,1-3H3;4-11,23-24H,12-13H2,1-3H3;5-12,19-20H,13H2,1-4H3;4-11,19-20H,12H2,1-3H3;9-12,15,18-19H,4-8,13H2,1-3H3;9-10,13-14,18-19H,3-8,11-12H2,1-2H3;4-7,12,15-16H,8-10H2,1-3H3
InChIKeyFTXJBELXVMEPNS-UHFFFAOYSA-N
MW2389.29 g/mol
LogP26.29
Rot. Bonds41

About N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide

N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide (PubChem CID 158140795) has the molecular formula C123H174F4N14O15S7 and a molecular weight of 2389.29 g/mol. Its IUPAC name is N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
PubChem CID158140795
Molecular FormulaC123H174F4N14O15S7
Molecular Weight2389.29 g/mol
Exact Mass2387.13
IUPAC NameN-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNC2CC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNC2CCCCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc3c2CCCC3)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CCC2.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O2S.C19H23F3N2O2S.C18H24N2O3S.C17H21FN2O2S.2C17H28N2O2S.C14H22N2O2S/c1-21(2,3)26(24,25)23-18-13-11-16(12-14-18)15-22-20-10-6-8-17-7-4-5-9-19(17)20;1-18(2,3)27(25,26)24-17-10-6-15(7-11-17)13-23-12-14-4-8-16(9-5-14)19(20,21)22;1-18(2,3)24(21,22)20-16-7-5-14(6-8-16)13-19-15-9-11-17(23-4)12-10-15;1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15;1-17(2,3)22(20,21)19-16-11-9-14(10-12-16)13-18-15-7-5-4-6-8-15;1-14(2)22(20,21)19-12-5-3-4-11-18-17-10-9-15-7-6-8-16(15)13-17;1-14(2,3)19(17,18)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h6,8,10-14,22-23H,4-5,7,9,15H2,1-3H3;4-11,23-24H,12-13H2,1-3H3;5-12,19-20H,13H2,1-4H3;4-11,19-20H,12H2,1-3H3;9-12,15,18-19H,4-8,13H2,1-3H3;9-10,13-14,18-19H,3-8,11-12H2,1-2H3;4-7,12,15-16H,8-10H2,1-3H3
InChIKeyFTXJBELXVMEPNS-UHFFFAOYSA-N
XLogP26.29
TPSA416.63 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds41
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.29
LogP ≤ 526.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide (CID 158140795) is N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(CNC2CC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNC2CCCCC2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(F)cc2)cc1.CC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc3c2CCCC3)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc2c(c1)CCC2.COc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
The InChIKey is FTXJBELXVMEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S.C19H23F3N2O2S.C18H24N2O3S.C17H21FN2O2S.2C17H28N2O2S.C14H22N2O2S/c1-21(2,3)26(24,25)23-18-13-11-16(12-14-18)15-22-20-10-6-8-17-7-4-5-9-19(17)20;1-18(2,3)27(25,26)24-17-10-6-15(7-11-17)13-23-12-14-4-8-16(9-5-14)19(20,21)22;1-18(2,3)24(21,22)20-16-7-5-14(6-8-16)13-19-15-9-11-17(23-4)12-10-15;1-17(2,3)23(21,22)20-16-8-4-13(5-9-16)12-19-15-10-6-14(18)7-11-15;1-17(2,3)22(20,21)19-16-11-9-14(10-12-16)13-18-15-7-5-4-6-8-15;1-14(2)22(20,21)19-12-5-3-4-11-18-17-10-9-15-7-6-8-16(15)13-17;1-14(2,3)19(17,18)16-13-6-4-11(5-7-13)10-15-12-8-9-12/h6,8,10-14,22-23H,4-5,7,9,15H2,1-3H3;4-11,23-24H,12-13H2,1-3H3;5-12,19-20H,13H2,1-4H3;4-11,19-20H,12H2,1-3H3;9-12,15,18-19H,4-8,13H2,1-3H3;9-10,13-14,18-19H,3-8,11-12H2,1-2H3;4-7,12,15-16H,8-10H2,1-3H3.
What are the key properties of N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide?
N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide has a molecular weight of 2389.29 g/mol, XLogP of 26.29, 41 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclohexylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[5-(2,3-dihydro-1H-inden-5-ylamino)pentyl]propane-2-sulfonamide;N-[4-[(4-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;N-[4-[(4-methoxyanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[4-[(5,6,7,8-tetrahydronaphthalen-1-ylamino)methyl]phenyl]propane-2-sulfonamide;2-methyl-N-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 158140795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).