N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C16H15NO4S — CID 4827704

IUPACN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15NO4S/c18-22(19,14-6-4-11-2-1-3-12(11)8-14)17-13-5-7-15-16(9-13)21-10-20-15/h4-9,17H,1-3,10H2
InChIKeyNGRBQOPLJKFPQC-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.70
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 4827704) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID4827704
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15NO4S/c18-22(19,14-6-4-11-2-1-3-12(11)8-14)17-13-5-7-15-16(9-13)21-10-20-15/h4-9,17H,1-3,10H2
InChIKeyNGRBQOPLJKFPQC-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(1,3-benzodioxol-5-yl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610854
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(1,3-benzodioxol-5-yl)-3,5-difluorobenzenesulfonamide
CID 26951283
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110639743
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-(1,3-benzodioxol-5-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 4827704) is N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is NGRBQOPLJKFPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-22(19,14-6-4-11-2-1-3-12(11)8-14)17-13-5-7-15-16(9-13)21-10-20-15/h4-9,17H,1-3,10H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 4827704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).