N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide

C24H26N2O2S — CID 16718827

IUPACN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3
InChIKeyJIKAKDQZRABPAQ-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.92
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide

N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide (PubChem CID 16718827) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide
PubChem CID16718827
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide
SMILESCC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1
InChIInChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3
InChIKeyJIKAKDQZRABPAQ-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide (CID 16718827) is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide is CC1=C(CCN(C)C)c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2C1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide?
The InChIKey is JIKAKDQZRABPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17-14-20-8-10-21(16-24(20)23(17)12-13-26(2)3)25-29(27,28)22-11-9-18-6-4-5-7-19(18)15-22/h4-11,15-16,25H,12-14H2,1-3H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide?
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide has a molecular weight of 406.55 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-inden-5-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 16718827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).