N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide

C24H27N3O2S — CID 52920134

IUPACN-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
SMILESCCN(CC)CCc1c[nH]c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)15-14-19-17-25-23-16-20(12-13-21(19)23)26-30(28,29)24-11-7-9-18-8-5-6-10-22(18)24/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3
InChIKeyDNKJCSIFUIALPF-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.01
Rot. Bonds8

About N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide

N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide (PubChem CID 52920134) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
PubChem CID52920134
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
SMILESCCN(CC)CCc1c[nH]c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc12
InChIInChI=1S/C24H27N3O2S/c1-3-27(4-2)15-14-19-17-25-23-16-20(12-13-21(19)23)26-30(28,29)24-11-7-9-18-8-5-6-10-22(18)24/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3
InChIKeyDNKJCSIFUIALPF-UHFFFAOYSA-N
XLogP5.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N-[1-[2-(diethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
CID 11177658
N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
CID 11510027
N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69265044
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
5-chloro-N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 10300034
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-1-sulfonamide
CID 11176859

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide (CID 52920134) is N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide is CCN(CC)CCc1c[nH]c2cc(NS(=O)(=O)c3cccc4ccccc34)ccc12.
What is the InChIKey of N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide?
The InChIKey is DNKJCSIFUIALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-27(4-2)15-14-19-17-25-23-16-20(12-13-21(19)23)26-30(28,29)24-11-7-9-18-8-5-6-10-22(18)24/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3.
What are the key properties of N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide?
N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide has a molecular weight of 421.57 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 52920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).