N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide

C23H25N3O2S — CID 11463924

IUPACN-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C
InChIInChI=1S/C23H25N3O2S/c1-17-15-19-16-20(11-12-22(19)26(17)14-13-25(2)3)24-29(27,28)23-10-6-8-18-7-4-5-9-21(18)23/h4-12,15-16,24H,13-14H2,1-3H3
InChIKeyZDLGKEUGSQRZSW-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.47
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide

N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide (PubChem CID 11463924) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide
PubChem CID11463924
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C
InChIInChI=1S/C23H25N3O2S/c1-17-15-19-16-20(11-12-22(19)26(17)14-13-25(2)3)24-29(27,28)23-10-6-8-18-7-4-5-9-21(18)23/h4-12,15-16,24H,13-14H2,1-3H3
InChIKeyZDLGKEUGSQRZSW-UHFFFAOYSA-N
XLogP4.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide (CID 11463924) is N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide is Cc1cc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc2n1CCN(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide?
The InChIKey is ZDLGKEUGSQRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-15-19-16-20(11-12-22(19)26(17)14-13-25(2)3)24-29(27,28)23-10-6-8-18-7-4-5-9-21(18)23/h4-12,15-16,24H,13-14H2,1-3H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide?
N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11463924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).