6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide

C11H12ClN3O2S — CID 146387568

IUPAC6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C11H12ClN3O2S/c12-7-1-2-10-9(5-7)8-3-4-15(18(13,16)17)6-11(8)14-10/h1-2,5,14H,3-4,6H2,(H2,13,16,17)
InChIKeyAYBYDLSVKAICME-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.38
Rot. Bonds1

About 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide

6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide (PubChem CID 146387568) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
PubChem CID146387568
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C11H12ClN3O2S/c12-7-1-2-10-9(5-7)8-3-4-15(18(13,16)17)6-11(8)14-10/h1-2,5,14H,3-4,6H2,(H2,13,16,17)
InChIKeyAYBYDLSVKAICME-UHFFFAOYSA-N
XLogP1.38
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-chloro-5-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 146387587
2-amino-3-(4-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 146387922
2-butylsulfonyl-8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089291
(3-amino-5-chlorophenyl)-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 146387991
2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-1-(3,5-dichlorophenyl)ethanone
CID 146381498
8-chloro-2-(2,5-dimethylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089299
2-(5-chlorothiophen-2-yl)sulfonyl-6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090151
[3-(2-aminoethyl)-5-chlorophenyl]-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 146387935
6-fluoro-2-propylsulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 113090120
(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[3-hydroxy-4-(trifluoromethyl)phenyl]methanone
CID 146387755
[3-chloro-5-(hydroxymethyl)phenyl]-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 146387934
3-chloro-4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-hydroxymethyl]phenol
CID 153405435

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide?
The IUPAC name of 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide (CID 146387568) is 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide.
What is the SMILES notation for 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide?
The canonical SMILES for 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide is NS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1.
What is the InChIKey of 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide?
The InChIKey is AYBYDLSVKAICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c12-7-1-2-10-9(5-7)8-3-4-15(18(13,16)17)6-11(8)14-10/h1-2,5,14H,3-4,6H2,(H2,13,16,17).
What are the key properties of 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide?
6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide is sourced from PubChem (CID 146387568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).