9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C20H18ClN3O3S — CID 6619703

IUPAC9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-13-6-8-14(9-7-13)28(22,26)27/h5-11H,1-4H2,(H,23,25)(H2,22,26,27)
InChIKeyHCIKNWPUNAYWES-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.67
Rot. Bonds3

About 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 6619703) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID6619703
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1
InChIInChI=1S/C20H18ClN3O3S/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-13-6-8-14(9-7-13)28(22,26)27/h5-11H,1-4H2,(H,23,25)(H2,22,26,27)
InChIKeyHCIKNWPUNAYWES-UHFFFAOYSA-N
XLogP3.67
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
9-chloro-N-(3-cyanophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257992
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]acetate
CID 20866032
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250
9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 6619703) is 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)cc1.
What is the InChIKey of 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is HCIKNWPUNAYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-13-6-8-14(9-7-13)28(22,26)27/h5-11H,1-4H2,(H,23,25)(H2,22,26,27).
What are the key properties of 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 6619703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).