N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C26H36N2O2S — CID 10094808

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C26H36N2O2S/c1-16(2)20-13-23(17(3)4)26(24(14-20)18(5)6)31(29,30)28-19(7)12-21-15-27-25-11-9-8-10-22(21)25/h8-11,13-19,27-28H,12H2,1-7H3
InChIKeyFBTRYXIBCVQSAZ-UHFFFAOYSA-N
MW440.65 g/mol
LogP6.45
Rot. Bonds8

About N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 10094808) has the molecular formula C26H36N2O2S and a molecular weight of 440.65 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID10094808
Molecular FormulaC26H36N2O2S
Molecular Weight440.65 g/mol
Exact Mass440.25
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C26H36N2O2S/c1-16(2)20-13-23(17(3)4)26(24(14-20)18(5)6)31(29,30)28-19(7)12-21-15-27-25-11-9-8-10-22(21)25/h8-11,13-19,27-28H,12H2,1-7H3
InChIKeyFBTRYXIBCVQSAZ-UHFFFAOYSA-N
XLogP6.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 10094808) is N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is FBTRYXIBCVQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2S/c1-16(2)20-13-23(17(3)4)26(24(14-20)18(5)6)31(29,30)28-19(7)12-21-15-27-25-11-9-8-10-22(21)25/h8-11,13-19,27-28H,12H2,1-7H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 440.65 g/mol, XLogP of 6.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 10094808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).