N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

C24H25NO4S — CID 73438795

IUPACN-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCOc1cc2c(cc1OC)[C@@H](NS(=O)(=O)c1ccccc1)[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-16-23(17-10-6-4-7-11-17)19-14-21(28-2)22(29-3)15-20(19)24(16)25-30(26,27)18-12-8-5-9-13-18/h4-16,23-25H,1-3H3/t16-,23+,24+/m1/s1
InChIKeyZARPHDCDAANQLW-XRJVTAMDSA-N
MW423.53 g/mol
LogP4.51
Rot. Bonds6

About N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide

N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (PubChem CID 73438795) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
PubChem CID73438795
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC NameN-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
SMILESCOc1cc2c(cc1OC)[C@@H](NS(=O)(=O)c1ccccc1)[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C24H25NO4S/c1-16-23(17-10-6-4-7-11-17)19-14-21(28-2)22(29-3)15-20(19)24(16)25-30(26,27)18-12-8-5-9-13-18/h4-16,23-25H,1-3H3/t16-,23+,24+/m1/s1
InChIKeyZARPHDCDAANQLW-XRJVTAMDSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2-amino-4,5-dimethoxyphenyl)benzenesulfonamide
CID 43550840
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
(1R)-N-(benzenesulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40836140
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The IUPAC name of N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide (CID 73438795) is N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is COc1cc2c(cc1OC)[C@@H](NS(=O)(=O)c1ccccc1)[C@H](C)[C@H]2c1ccccc1.
What is the InChIKey of N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
The InChIKey is ZARPHDCDAANQLW-XRJVTAMDSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-16-23(17-10-6-4-7-11-17)19-14-21(28-2)22(29-3)15-20(19)24(16)25-30(26,27)18-12-8-5-9-13-18/h4-16,23-25H,1-3H3/t16-,23+,24+/m1/s1.
What are the key properties of N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide?
N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide has a molecular weight of 423.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S)-5,6-dimethoxy-2-methyl-3-phenyl-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide is sourced from PubChem (CID 73438795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).