N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

C21H22N4O2S2 — CID 69265044

IUPACN-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C)CCc1c[nH]c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc12
InChIInChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-19-13-16(6-7-17(15)19)24-29(26,27)21-9-8-20(28-21)18-5-3-4-11-22-18/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyZBMIYHUQMHRSJZ-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.20
Rot. Bonds7

About N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 69265044) has the molecular formula C21H22N4O2S2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID69265044
Molecular FormulaC21H22N4O2S2
Molecular Weight426.57 g/mol
Exact Mass426.12
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCN(C)CCc1c[nH]c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc12
InChIInChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-19-13-16(6-7-17(15)19)24-29(26,27)21-9-8-20(28-21)18-5-3-4-11-22-18/h3-9,11,13-14,23-24H,10,12H2,1-2H3
InChIKeyZBMIYHUQMHRSJZ-UHFFFAOYSA-N
XLogP4.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-5-yl]quinoline-8-sulfonamide
CID 10294044
N-[3-[2-(diethylamino)ethyl]-1H-indol-6-yl]naphthalene-1-sulfonamide
CID 52920134
5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
CID 69262416
3-[2-(dimethylamino)ethyl]-N-(4-ethoxyphenyl)-1H-indole-5-sulfonamide
CID 19844112
N-[3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 10184527
N,N-dimethyl-2-(5-pyridin-2-ylsulfanyl-1H-indol-3-yl)ethanamine
CID 176862279
N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 67970190
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 2812612
5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 58087312
N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
CID 110724387

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 69265044) is N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is CN(C)CCc1c[nH]c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc12.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is ZBMIYHUQMHRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S2/c1-25(2)12-10-15-14-23-19-13-16(6-7-17(15)19)24-29(26,27)21-9-8-20(28-21)18-5-3-4-11-22-18/h3-9,11,13-14,23-24H,10,12H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 426.57 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-1H-indol-6-yl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 69265044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).