N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide

C17H22N2O5S2 — CID 6496797

IUPACN-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(n(S(=O)(=O)CC)c2cc1C)CCCC3=O
InChIInChI=1S/C17H22N2O5S2/c1-4-25(21,22)18-13-10-12-15(9-11(13)3)19(26(23,24)5-2)14-7-6-8-16(20)17(12)14/h9-10,18H,4-8H2,1-3H3
InChIKeyCFVCWJHDNZWIGU-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.43
Rot. Bonds5

About N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide

N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide (PubChem CID 6496797) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide
PubChem CID6496797
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc2c3c(n(S(=O)(=O)CC)c2cc1C)CCCC3=O
InChIInChI=1S/C17H22N2O5S2/c1-4-25(21,22)18-13-10-12-15(9-11(13)3)19(26(23,24)5-2)14-7-6-8-16(20)17(12)14/h9-10,18H,4-8H2,1-3H3
InChIKeyCFVCWJHDNZWIGU-UHFFFAOYSA-N
XLogP2.43
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide?
The IUPAC name of N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide (CID 6496797) is N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide?
The canonical SMILES for N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide is CCS(=O)(=O)Nc1cc2c3c(n(S(=O)(=O)CC)c2cc1C)CCCC3=O.
What is the InChIKey of N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide?
The InChIKey is CFVCWJHDNZWIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-4-25(21,22)18-13-10-12-15(9-11(13)3)19(26(23,24)5-2)14-7-6-8-16(20)17(12)14/h9-10,18H,4-8H2,1-3H3.
What are the key properties of N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide?
N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylsulfonyl-2-methyl-5-oxo-7,8-dihydro-6H-carbazol-3-yl)ethanesulfonamide is sourced from PubChem (CID 6496797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).