N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide

C23H24N2O4S2 — CID 122214160

IUPACN-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2Cc3ccccc3N2S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-18-11-13-22(14-12-18)31(28,29)24-16-21-15-20-9-5-6-10-23(20)25(21)30(26,27)17-19-7-3-2-4-8-19/h2-14,21,24H,15-17H2,1H3
InChIKeyIARTUNFRHOAMRL-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.23
Rot. Bonds7

About N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide

N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 122214160) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID122214160
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC NameN-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2Cc3ccccc3N2S(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S2/c1-18-11-13-22(14-12-18)31(28,29)24-16-21-15-20-9-5-6-10-23(20)25(21)30(26,27)17-19-7-3-2-4-8-19/h2-14,21,24H,15-17H2,1H3
InChIKeyIARTUNFRHOAMRL-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1269756
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 122684210
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
CID 10519271
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
N-[[(2S,4R,5S)-5-[(4-benzylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 162797012
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-methyl-N-(3-phenylprop-1-enyl)benzenesulfonamide
CID 91181153

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide (CID 122214160) is N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2Cc3ccccc3N2S(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is IARTUNFRHOAMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-18-11-13-22(14-12-18)31(28,29)24-16-21-15-20-9-5-6-10-23(20)25(21)30(26,27)17-19-7-3-2-4-8-19/h2-14,21,24H,15-17H2,1H3.
What are the key properties of N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide?
N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylsulfonyl-2,3-dihydroindol-2-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122214160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).