N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

C23H21IN2O3S — CID 124560578

IUPACN-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21IN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-13-11-19(24)12-14-20)30(28,29)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3/t17-/m1/s1
InChIKeyXUKFSRQBACQKAV-QGZVFWFLSA-N
MW532.40 g/mol
LogP4.46
Rot. Bonds5

About N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide

N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 124560578) has the molecular formula C23H21IN2O3S and a molecular weight of 532.40 g/mol. Its IUPAC name is N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID124560578
Molecular FormulaC23H21IN2O3S
Molecular Weight532.40 g/mol
Exact Mass532.03
IUPAC NameN-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H21IN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-13-11-19(24)12-14-20)30(28,29)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3/t17-/m1/s1
InChIKeyXUKFSRQBACQKAV-QGZVFWFLSA-N
XLogP4.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 100795964
N-[(4-fluorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793142
4-chloro-N-(4-methoxyphenyl)-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 25376534
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43900265
N-benzyl-4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2545359
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
4-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 125063411
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126178030
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-iodophenyl)benzenesulfonamide
CID 126175570

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide (CID 124560578) is N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is C[C@@H]1Cc2ccccc2N1C(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is XUKFSRQBACQKAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H21IN2O3S/c1-17-15-18-7-5-6-10-22(18)26(17)23(27)16-25(20-13-11-19(24)12-14-20)30(28,29)21-8-3-2-4-9-21/h2-14,17H,15-16H2,1H3/t17-/m1/s1.
What are the key properties of N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide?
N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 532.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 124560578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).