3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C20H19FN2O3S — CID 20946129

IUPAC3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1cccc(F)c1)CCCC3=O
InChIInChI=1S/C20H19FN2O3S/c1-2-12-9-15-17(22-16-7-4-8-18(24)20(15)16)11-19(12)27(25,26)23-14-6-3-5-13(21)10-14/h3,5-6,9-11,22-23H,2,4,7-8H2,1H3
InChIKeySPJMATZWWFABPO-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.19
Rot. Bonds4

About 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20946129) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20946129
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1cccc(F)c1)CCCC3=O
InChIInChI=1S/C20H19FN2O3S/c1-2-12-9-15-17(22-16-7-4-8-18(24)20(15)16)11-19(12)27(25,26)23-14-6-3-5-13(21)10-14/h3,5-6,9-11,22-23H,2,4,7-8H2,1H3
InChIKeySPJMATZWWFABPO-UHFFFAOYSA-N
XLogP4.19
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946163
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
3-ethyl-N-[2-(furan-2-yl)ethyl]-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946230
7-(2,3-dihydroindol-1-ylsulfonyl)-6-ethyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20946133
N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945974
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
3-ethyl-7,7-dimethyl-5-oxo-N-(thiophen-2-ylmethyl)-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946071
N-(3-ethylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20970048

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20946129) is 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is CCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1cccc(F)c1)CCCC3=O.
What is the InChIKey of 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is SPJMATZWWFABPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-2-12-9-15-17(22-16-7-4-8-18(24)20(15)16)11-19(12)27(25,26)23-14-6-3-5-13(21)10-14/h3,5-6,9-11,22-23H,2,4,7-8H2,1H3.
What are the key properties of 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 386.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20946129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).