N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide

C16H17N3O2S — CID 176872849

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2S/c1-19(11-9-13-6-4-5-10-17-13)22(20,21)16-12-18-15-8-3-2-7-14(15)16/h2-8,10,12,18H,9,11H2,1H3
InChIKeyBJXIUKKKAUPNKV-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide

N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide (PubChem CID 176872849) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
PubChem CID176872849
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2S/c1-19(11-9-13-6-4-5-10-17-13)22(20,21)16-12-18-15-8-3-2-7-14(15)16/h2-8,10,12,18H,9,11H2,1H3
InChIKeyBJXIUKKKAUPNKV-UHFFFAOYSA-N
XLogP2.43
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
CID 91650887
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide (CID 176872849) is N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
The InChIKey is BJXIUKKKAUPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19(11-9-13-6-4-5-10-17-13)22(20,21)16-12-18-15-8-3-2-7-14(15)16/h2-8,10,12,18H,9,11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide?
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176872849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).