N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C21H21N3O3S — CID 113096937

IUPACN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)CC3
InChIInChI=1S/C21H21N3O3S/c1-12-2-5-19-16(8-12)17-11-14(3-6-20(17)22-19)24-28(26,27)15-4-7-18-13(9-15)10-21(25)23-18/h2,4-5,7-9,14,22,24H,3,6,10-11H2,1H3,(H,23,25)
InChIKeyWTLQBBOCXLMXIE-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.81
Rot. Bonds3

About N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113096937) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113096937
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)CC3
InChIInChI=1S/C21H21N3O3S/c1-12-2-5-19-16(8-12)17-11-14(3-6-20(17)22-19)24-28(26,27)15-4-7-18-13(9-15)10-21(25)23-18/h2,4-5,7-9,14,22,24H,3,6,10-11H2,1H3,(H,23,25)
InChIKeyWTLQBBOCXLMXIE-UHFFFAOYSA-N
XLogP2.81
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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)-3-methylbenzenesulfonamide
CID 113097106
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-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
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-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
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-(3-azabicyclo[3.1.0]hexan-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43597390

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113096937) is N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1ccc2[nH]c3c(c2c1)CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)CC3.
What is the InChIKey of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WTLQBBOCXLMXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-12-2-5-19-16(8-12)17-11-14(3-6-20(17)22-19)24-28(26,27)15-4-7-18-13(9-15)10-21(25)23-18/h2,4-5,7-9,14,22,24H,3,6,10-11H2,1H3,(H,23,25).
What are the key properties of N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113096937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).