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

C20H22N2O4S — CID 113097093

IUPAC4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(OC)cc4c3C2)cc1
InChIInChI=1S/C20H22N2O4S/c1-25-14-4-7-16(8-5-14)27(23,24)22-13-3-9-19-17(11-13)18-12-15(26-2)6-10-20(18)21-19/h4-8,10,12-13,21-22H,3,9,11H2,1-2H3
InChIKeyDMDSQNSXDSCFLL-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.02
Rot. Bonds5

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

4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (PubChem CID 113097093) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
PubChem CID113097093
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(OC)cc4c3C2)cc1
InChIInChI=1S/C20H22N2O4S/c1-25-14-4-7-16(8-5-14)27(23,24)22-13-3-9-19-17(11-13)18-12-15(26-2)6-10-20(18)21-19/h4-8,10,12-13,21-22H,3,9,11H2,1-2H3
InChIKeyDMDSQNSXDSCFLL-UHFFFAOYSA-N
XLogP3.02
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
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)butane-1-sulfonamide
CID 113097088
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
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
CID 113097107
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide (CID 113097093) is 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(OC)cc4c3C2)cc1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
The InChIKey is DMDSQNSXDSCFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-25-14-4-7-16(8-5-14)27(23,24)22-13-3-9-19-17(11-13)18-12-15(26-2)6-10-20(18)21-19/h4-8,10,12-13,21-22H,3,9,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide?
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 113097093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).