1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide

C14H19N3O3S — CID 110737671

IUPAC1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C14H19N3O3S/c1-16-6-5-11(9-16)15-21(19,20)12-3-4-13-10(7-12)8-14(18)17(13)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyCGDHLBLXAILBGL-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.19
Rot. Bonds3

About 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110737671) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide
PubChem CID110737671
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide
SMILESCN1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1
InChIInChI=1S/C14H19N3O3S/c1-16-6-5-11(9-16)15-21(19,20)12-3-4-13-10(7-12)8-14(18)17(13)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyCGDHLBLXAILBGL-UHFFFAOYSA-N
XLogP0.19
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052530
3-amino-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949568
N-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110751697
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
4-(methanesulfonamido)-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 166308941
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
3-amino-N-(1-methylpyrrolidin-3-yl)-4-nitrobenzenesulfonamide
CID 82845629
4-[1-(methylamino)ethyl]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465032
4-(1-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61465004
3-(chloromethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 114279731

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide (CID 110737671) is 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide is CN1CCC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1.
What is the InChIKey of 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is CGDHLBLXAILBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16-6-5-11(9-16)15-21(19,20)12-3-4-13-10(7-12)8-14(18)17(13)2/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyrrolidin-3-yl)-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110737671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).