N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

C20H22N2O3S — CID 20909771

IUPACN-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H22N2O3S/c1-2-25-20-10-6-5-9-19(20)22-26(23,24)14-11-12-18-16(13-14)15-7-3-4-8-17(15)21-18/h5-6,9-13,21-22H,2-4,7-8H2,1H3
InChIKeyQQEMDOYTUKZGJU-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.25
Rot. Bonds5

About N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide

N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (PubChem CID 20909771) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
PubChem CID20909771
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C20H22N2O3S/c1-2-25-20-10-6-5-9-19(20)22-26(23,24)14-11-12-18-16(13-14)15-7-3-4-8-17(15)21-18/h5-6,9-13,21-22H,2-4,7-8H2,1H3
InChIKeyQQEMDOYTUKZGJU-UHFFFAOYSA-N
XLogP4.25
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.25
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-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide (CID 20909771) is N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
The InChIKey is QQEMDOYTUKZGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-25-20-10-6-5-9-19(20)22-26(23,24)14-11-12-18-16(13-14)15-7-3-4-8-17(15)21-18/h5-6,9-13,21-22H,2-4,7-8H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide?
N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide is sourced from PubChem (CID 20909771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).