N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide

C19H22FN3O2S — CID 90490875

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(F)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H22FN3O2S/c1-22(2)19(17-13-23(3)18-10-5-4-9-16(17)18)12-21-26(24,25)15-8-6-7-14(20)11-15/h4-11,13,19,21H,12H2,1-3H3
InChIKeyBYJMFONBZCTNSL-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 90490875) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID90490875
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(F)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H22FN3O2S/c1-22(2)19(17-13-23(3)18-10-5-4-9-16(17)18)12-21-26(24,25)15-8-6-7-14(20)11-15/h4-11,13,19,21H,12H2,1-3H3
InChIKeyBYJMFONBZCTNSL-UHFFFAOYSA-N
XLogP2.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 71780339
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-3-fluorobenzenesulfonamide
CID 42263946
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90490919
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 90490886
methyl 4-[[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]sulfamoyl]benzoate
CID 71796934
3,5-difluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535169
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 90535146
3-chloro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 90535166
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide (CID 90490875) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1cccc(F)c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is BYJMFONBZCTNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-22(2)19(17-13-23(3)18-10-5-4-9-16(17)18)12-21-26(24,25)15-8-6-7-14(20)11-15/h4-11,13,19,21H,12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 375.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 90490875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).