N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide

C23H32N2O2S — CID 70839211

IUPACN-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide
SMILESCc1c(NCc2ccc(NS(=O)(=O)C(C)C)cc2)ccc2c1C(C)C(C)C2C
InChIInChI=1S/C23H32N2O2S/c1-14(2)28(26,27)25-20-9-7-19(8-10-20)13-24-22-12-11-21-16(4)15(3)17(5)23(21)18(22)6/h7-12,14-17,24-25H,13H2,1-6H3
InChIKeyHFMAUAHIANALBG-UHFFFAOYSA-N
MW400.59 g/mol
LogP5.61
Rot. Bonds6

About N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide

N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide (PubChem CID 70839211) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide
PubChem CID70839211
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide
SMILESCc1c(NCc2ccc(NS(=O)(=O)C(C)C)cc2)ccc2c1C(C)C(C)C2C
InChIInChI=1S/C23H32N2O2S/c1-14(2)28(26,27)25-20-9-7-19(8-10-20)13-24-22-12-11-21-16(4)15(3)17(5)23(21)18(22)6/h7-12,14-17,24-25H,13H2,1-6H3
InChIKeyHFMAUAHIANALBG-UHFFFAOYSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939276
N-[4-[[(1,4-dimethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939871
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939150
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
N-[4-[[(7-methyl-1,3-benzodioxol-5-yl)amino]methyl]phenyl]propane-2-sulfonamide
CID 59230979
N-cyclohexyl-3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzenesulfonamide
CID 70939182
N-[4-[[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]propane-2-sulfonamide
CID 70939895

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide (CID 70839211) is N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide is Cc1c(NCc2ccc(NS(=O)(=O)C(C)C)cc2)ccc2c1C(C)C(C)C2C.
What is the InChIKey of N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide?
The InChIKey is HFMAUAHIANALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-14(2)28(26,27)25-20-9-7-19(8-10-20)13-24-22-12-11-21-16(4)15(3)17(5)23(21)18(22)6/h7-12,14-17,24-25H,13H2,1-6H3.
What are the key properties of N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide?
N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide has a molecular weight of 400.59 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1,2,3,4-tetramethyl-2,3-dihydro-1H-inden-5-yl)amino]methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70839211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).