N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

C20H18N2O5S — CID 20945958

IUPACN-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)CCCC3=O
InChIInChI=1S/C20H18N2O5S/c1-11-7-13-15(21-14-3-2-4-16(23)20(13)14)9-19(11)28(24,25)22-12-5-6-17-18(8-12)27-10-26-17/h5-9,21-22H,2-4,10H2,1H3
InChIKeyLRLQDVAIZSZOJL-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.52
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide

N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (PubChem CID 20945958) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
PubChem CID20945958
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
SMILESCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)CCCC3=O
InChIInChI=1S/C20H18N2O5S/c1-11-7-13-15(21-14-3-2-4-16(23)20(13)14)9-19(11)28(24,25)22-12-5-6-17-18(8-12)27-10-26-17/h5-9,21-22H,2-4,10H2,1H3
InChIKeyLRLQDVAIZSZOJL-UHFFFAOYSA-N
XLogP3.52
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945974
3-ethyl-N-(3-fluorophenyl)-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946129
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
3-(1,3-benzodioxol-5-ylsulfamoyl)-4-methylbenzoic acid
CID 8822258
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996033
N-benzyl-N-ethyl-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945982
N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946163
N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946210
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
7-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-6-methyl-1,2,3,9-tetrahydrocarbazol-4-one
CID 20945923

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide (CID 20945958) is N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is Cc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc2c(c1)OCO2)CCCC3=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
The InChIKey is LRLQDVAIZSZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-11-7-13-15(21-14-3-2-4-16(23)20(13)14)9-19(11)28(24,25)22-12-5-6-17-18(8-12)27-10-26-17/h5-9,21-22H,2-4,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide has a molecular weight of 398.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide is sourced from PubChem (CID 20945958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).