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

C22H22ClN3O2S — CID 10224430

IUPAC5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12
InChIInChI=1S/C22H22ClN3O2S/c1-26(2)12-11-15-14-24-21-10-9-16(13-19(15)21)25-29(27,28)22-8-4-5-17-18(22)6-3-7-20(17)23/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyGRAZEJPPQICHTB-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.88
Rot. Bonds6

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

5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide (PubChem CID 10224430) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
PubChem CID10224430
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12
InChIInChI=1S/C22H22ClN3O2S/c1-26(2)12-11-15-14-24-21-10-9-16(13-19(15)21)25-29(27,28)22-8-4-5-17-18(22)6-3-7-20(17)23/h3-10,13-14,24-25H,11-12H2,1-2H3
InChIKeyGRAZEJPPQICHTB-UHFFFAOYSA-N
XLogP4.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10294044
N-[3-(2-aminoethyl)-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 24989478
N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
CID 52920134
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
CID 69262416
2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 160688645
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
N,N-dimethyl-2-[5-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]-2-oxoacetamide
CID 11510027
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
3-[2-(dimethylamino)ethyl]-N-[(5-pyridin-2-ylthiophen-2-yl)sulfamoyl]-1H-indol-5-amine
CID 69262700
N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 69265044
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide?
The IUPAC name of 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide (CID 10224430) is 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4c(Cl)cccc34)cc12.
What is the InChIKey of 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide?
The InChIKey is GRAZEJPPQICHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c1-26(2)12-11-15-14-24-21-10-9-16(13-19(15)21)25-29(27,28)22-8-4-5-17-18(22)6-3-7-20(17)23/h3-10,13-14,24-25H,11-12H2,1-2H3.
What are the key properties of 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide?
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide has a molecular weight of 427.96 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10224430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).