N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide

C22H28N2O4S2 — CID 101435738

IUPACN-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)C(C)(C)C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O4S2/c1-16(2)21(23-30(27,28)22(3,4)5)20-15-17-11-9-10-14-19(17)24(20)29(25,26)18-12-7-6-8-13-18/h6-16,21,23H,1-5H3/t21-/m0/s1
InChIKeyFJESHGRXAFTVOT-NRFANRHFSA-N
MW448.61 g/mol
LogP4.29
Rot. Bonds6

About N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide

N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide (PubChem CID 101435738) has the molecular formula C22H28N2O4S2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide
PubChem CID101435738
Molecular FormulaC22H28N2O4S2
Molecular Weight448.61 g/mol
Exact Mass448.15
IUPAC NameN-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)C(C)(C)C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H28N2O4S2/c1-16(2)21(23-30(27,28)22(3,4)5)20-15-17-11-9-10-14-19(17)24(20)29(25,26)18-12-7-6-8-13-18/h6-16,21,23H,1-5H3/t21-/m0/s1
InChIKeyFJESHGRXAFTVOT-NRFANRHFSA-N
XLogP4.29
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
CID 14615864
CID 88588324
CID 88588324
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
CID 15421387
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
[1-(benzenesulfonyl)indol-2-yl]-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]methanol
CID 10603182
N-[1-[1-(benzenesulfonyl)indol-2-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 123566473
(S)-N-[(R)-[1-(benzenesulfonyl)indol-2-yl]-(2-methoxy-5-methylphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 153404484
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
(S)-N-[(R)-[1-(benzenesulfonyl)indol-2-yl]-(2,3-difluoro-6-methoxyphenyl)methyl]-2-methylpropane-2-sulfinamide
CID 153404498

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide (CID 101435738) is N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide is CC(C)[C@H](NS(=O)(=O)C(C)(C)C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide?
The InChIKey is FJESHGRXAFTVOT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O4S2/c1-16(2)21(23-30(27,28)22(3,4)5)20-15-17-11-9-10-14-19(17)24(20)29(25,26)18-12-7-6-8-13-18/h6-16,21,23H,1-5H3/t21-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide?
N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide has a molecular weight of 448.61 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(benzenesulfonyl)indol-2-yl]-2-methylpropyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 101435738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).