9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane

C20H29NO2S — CID 143047201

IUPAC9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane
SMILESCC.CC.CC1c2ccccc2-c2cc(S(N)(=O)=O)ccc2C1C
InChIInChI=1S/C16H17NO2S.2C2H6/c1-10-11(2)14-8-7-12(20(17,18)19)9-16(14)15-6-4-3-5-13(10)15;2*1-2/h3-11H,1-2H3,(H2,17,18,19);2*1-2H3
InChIKeyGXNZMKHZWSTUCH-UHFFFAOYSA-N
MW347.52 g/mol
LogP5.27
Rot. Bonds1

About 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane

9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane (PubChem CID 143047201) has the molecular formula C20H29NO2S and a molecular weight of 347.52 g/mol. Its IUPAC name is 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane.

Molecular Properties

Compound Name9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane
PubChem CID143047201
Molecular FormulaC20H29NO2S
Molecular Weight347.52 g/mol
Exact Mass347.19
IUPAC Name9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane
SMILESCC.CC.CC1c2ccccc2-c2cc(S(N)(=O)=O)ccc2C1C
InChIInChI=1S/C16H17NO2S.2C2H6/c1-10-11(2)14-8-7-12(20(17,18)19)9-16(14)15-6-4-3-5-13(10)15;2*1-2/h3-11H,1-2H3,(H2,17,18,19);2*1-2H3
InChIKeyGXNZMKHZWSTUCH-UHFFFAOYSA-N
XLogP5.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane?
The IUPAC name of 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane (CID 143047201) is 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane.
What is the SMILES notation for 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane?
The canonical SMILES for 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane is CC.CC.CC1c2ccccc2-c2cc(S(N)(=O)=O)ccc2C1C.
What is the InChIKey of 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane?
The InChIKey is GXNZMKHZWSTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S.2C2H6/c1-10-11(2)14-8-7-12(20(17,18)19)9-16(14)15-6-4-3-5-13(10)15;2*1-2/h3-11H,1-2H3,(H2,17,18,19);2*1-2H3.
What are the key properties of 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane?
9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane has a molecular weight of 347.52 g/mol, XLogP of 5.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-9,10-dihydrophenanthrene-3-sulfonamide;ethane is sourced from PubChem (CID 143047201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).