4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide

C19H19FN2O2S — CID 58034236

IUPAC4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2cc3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-21(25(23,24)18-9-6-15(20)7-10-18)16-8-5-14-12-17-4-2-3-11-22(17)19(14)13-16/h2-4,6-7,9-12,16H,5,8,13H2,1H3
InChIKeyYQDKPIZLJOSREQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.26
Rot. Bonds3

About 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide

4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide (PubChem CID 58034236) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide
PubChem CID58034236
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide
SMILESCN(C1CCc2cc3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2S/c1-21(25(23,24)18-9-6-15(20)7-10-18)16-8-5-14-12-17-4-2-3-11-22(17)19(14)13-16/h2-4,6-7,9-12,16H,5,8,13H2,1H3
InChIKeyYQDKPIZLJOSREQ-UHFFFAOYSA-N
XLogP3.26
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide with MolForge

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Related Compounds

methyl 2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]acetate
CID 91437114
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-fluoro-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 9301214
N-(2-chloro-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 141340702
9-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine;hydrochloride
CID 73348100
3,4-difluoro-N-methyl-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79119655
3-[8-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[4,3-b]indol-5-yl]propanoic acid
CID 67997629
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
2-[(4-fluorophenyl)sulfonyl-[9-(3-hydroxy-3-methylbutyl)-1,2,3,4-tetrahydrocarbazol-3-yl]amino]acetic acid
CID 45107220
ethyl (E)-3-[7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]prop-2-enoate
CID 86636091
N-methyl-3-nitro-N-(4-oxocyclohexyl)benzenesulfonamide
CID 79118614

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide (CID 58034236) is 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide is CN(C1CCc2cc3ccccn3c2C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide?
The InChIKey is YQDKPIZLJOSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-21(25(23,24)18-9-6-15(20)7-10-18)16-8-5-14-12-17-4-2-3-11-22(17)19(14)13-16/h2-4,6-7,9-12,16H,5,8,13H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide?
4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(1,2,3,4-tetrahydropyrido[1,2-a]indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 58034236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).