4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

C17H19NO3S — CID 154859038

IUPAC4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-12-3-9-16-13(11-12)4-10-17(16)18-22(19,20)15-7-5-14(21-2)6-8-15/h3,5-9,11,17-18H,4,10H2,1-2H3
InChIKeyFWXUPXYPPMYJJE-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.97
Rot. Bonds4

About 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide

4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (PubChem CID 154859038) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
PubChem CID154859038
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3cc(C)ccc32)cc1
InChIInChI=1S/C17H19NO3S/c1-12-3-9-16-13(11-12)4-10-17(16)18-22(19,20)15-7-5-14(21-2)6-8-15/h3,5-9,11,17-18H,4,10H2,1-2H3
InChIKeyFWXUPXYPPMYJJE-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 110399734
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;(E)-3-[1-[(4-methoxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 165045515
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)-1,3-thiazole-4-sulfonamide
CID 154865052
N-(5-methyl-2,3-dihydro-1H-inden-1-yl)thieno[3,2-b]pyridine-6-sulfonamide
CID 154872561
N-(2,3-dihydro-1H-inden-1-yl)-3,4-dimethoxybenzenesulfonamide
CID 583390
4-acetyl-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 110399781
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide (CID 154859038) is 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCc3cc(C)ccc32)cc1.
What is the InChIKey of 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
The InChIKey is FWXUPXYPPMYJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-3-9-16-13(11-12)4-10-17(16)18-22(19,20)15-7-5-14(21-2)6-8-15/h3,5-9,11,17-18H,4,10H2,1-2H3.
What are the key properties of 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide?
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide is sourced from PubChem (CID 154859038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).