3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide

C15H16N2O4S2 — CID 30286317

IUPAC3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H16N2O4S2/c16-22(18,19)14-5-2-6-15(10-14)23(20,21)17-13-8-7-11-3-1-4-12(11)9-13/h2,5-10,17H,1,3-4H2,(H2,16,18,19)
InChIKeyMXBMHTLUFMTBPN-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.62
Rot. Bonds4

About 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide

3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide (PubChem CID 30286317) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
PubChem CID30286317
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H16N2O4S2/c16-22(18,19)14-5-2-6-15(10-14)23(20,21)17-13-8-7-11-3-1-4-12(11)9-13/h2,5-10,17H,1,3-4H2,(H2,16,18,19)
InChIKeyMXBMHTLUFMTBPN-UHFFFAOYSA-N
XLogP1.62
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
N-(2,3-dihydro-1H-inden-5-yl)-3-propanoylbenzenesulfonamide
CID 112838618
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
3-N-(4-ethylphenyl)benzene-1,3-disulfonamide
CID 31065784
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114298978

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide (CID 30286317) is 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide?
The InChIKey is MXBMHTLUFMTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c16-22(18,19)14-5-2-6-15(10-14)23(20,21)17-13-8-7-11-3-1-4-12(11)9-13/h2,5-10,17H,1,3-4H2,(H2,16,18,19).
What are the key properties of 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide?
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide has a molecular weight of 352.44 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 30286317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).