3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole

C20H21FN2O2S — CID 141143392

IUPAC3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole
SMILESCc1c(S(=O)(=O)c2ccccc2)c2c(F)cccc2n1CC1CCCN1
InChIInChI=1S/C20H21FN2O2S/c1-14-20(26(24,25)16-8-3-2-4-9-16)19-17(21)10-5-11-18(19)23(14)13-15-7-6-12-22-15/h2-5,8-11,15,22H,6-7,12-13H2,1H3
InChIKeyGMWGMJHJZAOARF-UHFFFAOYSA-N
MW372.46 g/mol
LogP3.67
Rot. Bonds4

About 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole

3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole (PubChem CID 141143392) has the molecular formula C20H21FN2O2S and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole
PubChem CID141143392
Molecular FormulaC20H21FN2O2S
Molecular Weight372.46 g/mol
Exact Mass372.13
IUPAC Name3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole
SMILESCc1c(S(=O)(=O)c2ccccc2)c2c(F)cccc2n1CC1CCCN1
InChIInChI=1S/C20H21FN2O2S/c1-14-20(26(24,25)16-8-3-2-4-9-16)19-17(21)10-5-11-18(19)23(14)13-15-7-6-12-22-15/h2-5,8-11,15,22H,6-7,12-13H2,1H3
InChIKeyGMWGMJHJZAOARF-UHFFFAOYSA-N
XLogP3.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
CID 69202980
7-fluoro-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105494319
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835
6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole
CID 10454045
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
2-fluoro-6-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974313
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole?
The IUPAC name of 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole (CID 141143392) is 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole.
What is the SMILES notation for 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole?
The canonical SMILES for 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole is Cc1c(S(=O)(=O)c2ccccc2)c2c(F)cccc2n1CC1CCCN1.
What is the InChIKey of 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole?
The InChIKey is GMWGMJHJZAOARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-14-20(26(24,25)16-8-3-2-4-9-16)19-17(21)10-5-11-18(19)23(14)13-15-7-6-12-22-15/h2-5,8-11,15,22H,6-7,12-13H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole?
3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole has a molecular weight of 372.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole is sourced from PubChem (CID 141143392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).