N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide

C25H23N3O2S — CID 10477746

IUPACN-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide
SMILESCCN(c1c2ccccc2nc2c3ccccc3n(C)c12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23N3O2S/c1-4-28(31(29,30)18-15-13-17(2)14-16-18)24-19-9-5-7-11-21(19)26-23-20-10-6-8-12-22(20)27(3)25(23)24/h5-16H,4H2,1-3H3
InChIKeyBVBDOONNLHMPNY-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.40
Rot. Bonds4

About N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide

N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide (PubChem CID 10477746) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide
PubChem CID10477746
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide
SMILESCCN(c1c2ccccc2nc2c3ccccc3n(C)c12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H23N3O2S/c1-4-28(31(29,30)18-15-13-17(2)14-16-18)24-19-9-5-7-11-21(19)26-23-20-10-6-8-12-22(20)27(3)25(23)24/h5-16H,4H2,1-3H3
InChIKeyBVBDOONNLHMPNY-UHFFFAOYSA-N
XLogP5.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide (CID 10477746) is N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide is CCN(c1c2ccccc2nc2c3ccccc3n(C)c12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide?
The InChIKey is BVBDOONNLHMPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-4-28(31(29,30)18-15-13-17(2)14-16-18)24-19-9-5-7-11-21(19)26-23-20-10-6-8-12-22(20)27(3)25(23)24/h5-16H,4H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide?
N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(10-methylindolo[3,2-b]quinolin-11-yl)benzenesulfonamide is sourced from PubChem (CID 10477746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).