N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide

C19H21NO4S — CID 110399985

IUPACN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C19H21NO4S/c1-13-4-2-6-15(10-13)25(21,22)20-17-7-3-5-14-11-18-19(12-16(14)17)24-9-8-23-18/h2,4,6,10-12,17,20H,3,5,7-9H2,1H3
InChIKeyLGPSCOARNUTMEC-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.12
Rot. Bonds3

About N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide

N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide (PubChem CID 110399985) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide
PubChem CID110399985
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC2CCCc3cc4c(cc32)OCCO4)c1
InChIInChI=1S/C19H21NO4S/c1-13-4-2-6-15(10-13)25(21,22)20-17-7-3-5-14-11-18-19(12-16(14)17)24-9-8-23-18/h2,4,6,10-12,17,20H,3,5,7-9H2,1H3
InChIKeyLGPSCOARNUTMEC-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110399988
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685
2-cyano-N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)benzenesulfonamide
CID 110400004
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110399987
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120722144
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]-3-methylbenzenesulfonamide
CID 112989275
N-[3-[(5-methyl-2,3-dihydro-1H-inden-1-yl)sulfamoyl]phenyl]acetamide
CID 167954905
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988

Frequently Asked Questions

What is the IUPAC name of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide (CID 110399985) is N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC2CCCc3cc4c(cc32)OCCO4)c1.
What is the InChIKey of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide?
The InChIKey is LGPSCOARNUTMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-4-2-6-15(10-13)25(21,22)20-17-7-3-5-14-11-18-19(12-16(14)17)24-9-8-23-18/h2,4,6,10-12,17,20H,3,5,7-9H2,1H3.
What are the key properties of N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide?
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 110399985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).