N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C20H28N2O2S — CID 20909726

IUPACN-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H28N2O2S/c23-25(24,22-15-8-4-2-1-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)21-20/h12-15,21-22H,1-11H2
InChIKeyPFJYTDAPUYNBPL-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.44
Rot. Bonds3

About N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 20909726) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID20909726
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESO=S(=O)(NC1CCCCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H28N2O2S/c23-25(24,22-15-8-4-2-1-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)21-20/h12-15,21-22H,1-11H2
InChIKeyPFJYTDAPUYNBPL-UHFFFAOYSA-N
XLogP4.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.44
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

N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
N-(3-methylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 6625882
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 20909726) is N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is O=S(=O)(NC1CCCCCCC1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is PFJYTDAPUYNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c23-25(24,22-15-8-4-2-1-3-5-9-15)16-12-13-20-18(14-16)17-10-6-7-11-19(17)21-20/h12-15,21-22H,1-11H2.
What are the key properties of N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 20909726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).