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

C21H24N2O3S — CID 113097107

IUPACN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)CCc1ccccc1)CC3
InChIInChI=1S/C21H24N2O3S/c1-26-17-8-10-21-19(14-17)18-13-16(7-9-20(18)22-21)23-27(24,25)12-11-15-5-3-2-4-6-15/h2-6,8,10,14,16,22-23H,7,9,11-13H2,1H3
InChIKeyCMQBMWJBDRUNCN-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.20
Rot. Bonds6

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

N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide (PubChem CID 113097107) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
PubChem CID113097107
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide
SMILESCOc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)CCc1ccccc1)CC3
InChIInChI=1S/C21H24N2O3S/c1-26-17-8-10-21-19(14-17)18-13-16(7-9-20(18)22-21)23-27(24,25)12-11-15-5-3-2-4-6-15/h2-6,8,10,14,16,22-23H,7,9,11-13H2,1H3
InChIKeyCMQBMWJBDRUNCN-UHFFFAOYSA-N
XLogP3.20
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide (CID 113097107) is N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide is COc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)CCc1ccccc1)CC3.
What is the InChIKey of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide?
The InChIKey is CMQBMWJBDRUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-26-17-8-10-21-19(14-17)18-13-16(7-9-20(18)22-21)23-27(24,25)12-11-15-5-3-2-4-6-15/h2-6,8,10,14,16,22-23H,7,9,11-13H2,1H3.
What are the key properties of N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide?
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-phenylethanesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.20, 6 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)-2-phenylethanesulfonamide is sourced from PubChem (CID 113097107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).