1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide

C17H23N3O3S — CID 50801918

IUPAC1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C17H23N3O3S/c1-4-20-15-8-7-14(24(22,23)18(2)3)11-13(15)12-16(20)17(21)19-9-5-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyBLTOJHWYTMOXCU-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.15
Rot. Bonds4

About 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide

1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide (PubChem CID 50801918) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
PubChem CID50801918
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C17H23N3O3S/c1-4-20-15-8-7-14(24(22,23)18(2)3)11-13(15)12-16(20)17(21)19-9-5-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3
InChIKeyBLTOJHWYTMOXCU-UHFFFAOYSA-N
XLogP2.15
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-1-ethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 42669611
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
CID 83282691
N,N-diethyl-1-methyl-2-[(3R)-3-methylpiperidine-1-carbonyl]indole-5-sulfonamide
CID 93075951
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
1-ethyl-N,N-dimethyl-3-(morpholine-4-carbonyl)-4-oxoquinoline-6-sulfonamide
CID 5309747

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide?
The IUPAC name of 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide (CID 50801918) is 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide?
The canonical SMILES for 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide is CCn1c(C(=O)N2CCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide?
The InChIKey is BLTOJHWYTMOXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-20-15-8-7-14(24(22,23)18(2)3)11-13(15)12-16(20)17(21)19-9-5-6-10-19/h7-8,11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide?
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide is sourced from PubChem (CID 50801918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).