N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide

C17H19NO4S — CID 583390

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C17H19NO4S/c1-21-16-10-8-13(11-17(16)22-2)23(19,20)18-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18H,7,9H2,1-2H3
InChIKeyAHGPJTPKYJMRNU-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.67
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 583390) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID583390
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3ccccc32)cc1OC
InChIInChI=1S/C17H19NO4S/c1-21-16-10-8-13(11-17(16)22-2)23(19,20)18-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18H,7,9H2,1-2H3
InChIKeyAHGPJTPKYJMRNU-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43916531
3-bromo-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30325571
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 55598185
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
N-[5-[(3,4-dimethoxyphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54530988
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781
3-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399780
N-(2,3-dihydro-1H-inden-1-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274764
3,4-dimethoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301336
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28538778
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)pyridine-3-sulfonamide
CID 24556255
N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 655689

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide (CID 583390) is N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCc3ccccc32)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is AHGPJTPKYJMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-21-16-10-8-13(11-17(16)22-2)23(19,20)18-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18H,7,9H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 583390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).