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

C18H21NO4S — CID 110636042

IUPACN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(CNS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H21NO4S/c1-22-17-10-13-8-9-14(16(13)11-18(17)23-2)12-19-24(20,21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12H2,1-2H3
InChIKeyAOUUANIEEMCQSO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.71
Rot. Bonds6

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

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide (PubChem CID 110636042) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
PubChem CID110636042
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(CNS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H21NO4S/c1-22-17-10-13-8-9-14(16(13)11-18(17)23-2)12-19-24(20,21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12H2,1-2H3
InChIKeyAOUUANIEEMCQSO-UHFFFAOYSA-N
XLogP2.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110636060
N-[[(1S)-2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzenesulfonamide
CID 93148289
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19837465
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110407587
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
N-[(1S)-1-[(1R)-2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-2-methylpropyl]benzenesulfonamide
CID 99732109
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
(1R)-N-(benzenesulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40836140
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
CID 110636025

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide (CID 110636042) is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide is COc1cc2c(cc1OC)C(CNS(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide?
The InChIKey is AOUUANIEEMCQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-17-10-13-8-9-14(16(13)11-18(17)23-2)12-19-24(20,21)15-6-4-3-5-7-15/h3-7,10-11,14,19H,8-9,12H2,1-2H3.
What are the key properties of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide?
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110636042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).