N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide

C20H22N2O3S — CID 113097106

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1cccc(C)c1)CC3
InChIInChI=1S/C20H22N2O3S/c1-13-4-3-5-16(10-13)26(23,24)22-14-6-8-19-17(11-14)18-12-15(25-2)7-9-20(18)21-19/h3-5,7,9-10,12,14,21-22H,6,8,11H2,1-2H3
InChIKeyNTBCPPGLCRYICX-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.32
Rot. Bonds4

About N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide (PubChem CID 113097106) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
PubChem CID113097106
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1cccc(C)c1)CC3
InChIInChI=1S/C20H22N2O3S/c1-13-4-3-5-16(10-13)26(23,24)22-14-6-8-19-17(11-14)18-12-15(25-2)7-9-20(18)21-19/h3-5,7,9-10,12,14,21-22H,6,8,11H2,1-2H3
InChIKeyNTBCPPGLCRYICX-UHFFFAOYSA-N
XLogP3.32
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)butane-1-sulfonamide
CID 113097088
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
CID 113097107
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113096937
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097076

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide (CID 113097106) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide is COc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1cccc(C)c1)CC3.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide?
The InChIKey is NTBCPPGLCRYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-4-3-5-16(10-13)26(23,24)22-14-6-8-19-17(11-14)18-12-15(25-2)7-9-20(18)21-19/h3-5,7,9-10,12,14,21-22H,6,8,11H2,1-2H3.
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 113097106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).