4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide

C20H19FN2O3S — CID 88909810

IUPAC4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide
SMILESO=CCc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H19FN2O3S/c21-14-5-8-16(9-6-14)27(25,26)22-15-7-10-20-18(11-12-24)17-3-1-2-4-19(17)23(20)13-15/h1-6,8-9,12,15,22H,7,10-11,13H2/t15-/m1/s1
InChIKeyNRZPXIFINQWLRO-OAHLLOKOSA-N
MW386.45 g/mol
LogP2.82
Rot. Bonds5

About 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide

4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide (PubChem CID 88909810) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide
PubChem CID88909810
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide
SMILESO=CCc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C20H19FN2O3S/c21-14-5-8-16(9-6-14)27(25,26)22-15-7-10-20-18(11-12-24)17-3-1-2-4-19(17)23(20)13-15/h1-6,8-9,12,15,22H,7,10-11,13H2/t15-/m1/s1
InChIKeyNRZPXIFINQWLRO-OAHLLOKOSA-N
XLogP2.82
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(10-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl)-4-fluorobenzenesulfonamide
CID 90780240
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
methyl 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 14687304
benzoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250390
ethyl 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 141187924
3-cyclopentylpropanoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250235
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid
CID 67997623
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
ethyl (E)-3-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]prop-2-enoate
CID 86636091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide (CID 88909810) is 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide is O=CCc1c2n(c3ccccc13)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide?
The InChIKey is NRZPXIFINQWLRO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-14-5-8-16(9-6-14)27(25,26)22-15-7-10-20-18(11-12-24)17-3-1-2-4-19(17)23(20)13-15/h1-6,8-9,12,15,22H,7,10-11,13H2/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide?
4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(7R)-10-(2-oxoethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]benzenesulfonamide is sourced from PubChem (CID 88909810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).