N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide

C20H21FN2O2S — CID 90780240

IUPACN-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide
SMILESCCc1c2n(c3ccccc13)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O2S/c1-2-17-18-5-3-4-6-19(18)23-13-15(9-12-20(17)23)22-26(24,25)16-10-7-14(21)8-11-16/h3-8,10-11,15,22H,2,9,12-13H2,1H3
InChIKeyAKUFLEZDFHJJCP-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.64
Rot. Bonds4

About N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide

N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide (PubChem CID 90780240) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide
PubChem CID90780240
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide
SMILESCCc1c2n(c3ccccc13)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O2S/c1-2-17-18-5-3-4-6-19(18)23-13-15(9-12-20(17)23)22-26(24,25)16-10-7-14(21)8-11-16/h3-8,10-11,15,22H,2,9,12-13H2,1H3
InChIKeyAKUFLEZDFHJJCP-UHFFFAOYSA-N
XLogP3.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide
CID 88909810
ethyl 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 141187924
methyl 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 14687304
3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 5036
3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid;hydrochloride
CID 53250537
benzoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250390
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
3-cyclopentylpropanoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250235
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
4-ethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 134444762
ethyl (E)-3-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]prop-2-enoate
CID 86636091
ethyl 2-[9-[(4-fluorophenyl)sulfonylamino]-7,8,9,10-tetrahydropyrido[1,2-b]isoindol-6-yl]acetate
CID 58034229

Frequently Asked Questions

What is the IUPAC name of N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide (CID 90780240) is N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide is CCc1c2n(c3ccccc13)CC(NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide?
The InChIKey is AKUFLEZDFHJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-2-17-18-5-3-4-6-19(18)23-13-15(9-12-20(17)23)22-26(24,25)16-10-7-14(21)8-11-16/h3-8,10-11,15,22H,2,9,12-13H2,1H3.
What are the key properties of N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide?
N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 90780240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).