ethane;N-quinolin-3-ylbenzenesulfonamide

C21H30N2O2S — CID 90950237

IUPACethane;N-quinolin-3-ylbenzenesulfonamide
SMILESCC.CC.CC.O=S(=O)(Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C15H12N2O2S.3C2H6/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13;3*1-2/h1-11,17H;3*1-2H3
InChIKeyAVOONJKUTTVVIJ-UHFFFAOYSA-N
MW374.55 g/mol
LogP6.11
Rot. Bonds3

About ethane;N-quinolin-3-ylbenzenesulfonamide

ethane;N-quinolin-3-ylbenzenesulfonamide (PubChem CID 90950237) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is ethane;N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Nameethane;N-quinolin-3-ylbenzenesulfonamide
PubChem CID90950237
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Nameethane;N-quinolin-3-ylbenzenesulfonamide
SMILESCC.CC.CC.O=S(=O)(Nc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C15H12N2O2S.3C2H6/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13;3*1-2/h1-11,17H;3*1-2H3
InChIKeyAVOONJKUTTVVIJ-UHFFFAOYSA-N
XLogP6.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
2-chloro-N-phenyl-5-(quinolin-3-ylsulfamoyl)benzamide
CID 3397127
5-cyano-N-quinolin-3-ylthiophene-2-sulfonamide
CID 106268092
4-bromo-2-ethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3814344
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
1-hydroxy-N-quinolin-3-ylpropane-2-sulfonamide
CID 114133809
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344346

Frequently Asked Questions

What is the IUPAC name of ethane;N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of ethane;N-quinolin-3-ylbenzenesulfonamide (CID 90950237) is ethane;N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for ethane;N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for ethane;N-quinolin-3-ylbenzenesulfonamide is CC.CC.CC.O=S(=O)(Nc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of ethane;N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is AVOONJKUTTVVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S.3C2H6/c18-20(19,14-7-2-1-3-8-14)17-13-10-12-6-4-5-9-15(12)16-11-13;3*1-2/h1-11,17H;3*1-2H3.
What are the key properties of ethane;N-quinolin-3-ylbenzenesulfonamide?
ethane;N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 90950237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).