5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

C21H27ClN2O3S — CID 16837754

IUPAC5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C21H27ClN2O3S/c1-3-12-24-13-4-5-17-14-16(6-8-19(17)24)10-11-23-28(25,26)21-15-18(22)7-9-20(21)27-2/h6-9,14-15,23H,3-5,10-13H2,1-2H3
InChIKeySEJCXDHAZRSNQI-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.03
Rot. Bonds8

About 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 16837754) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID16837754
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC Name5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCCCN1CCCc2cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)ccc21
InChIInChI=1S/C21H27ClN2O3S/c1-3-12-24-13-4-5-17-14-16(6-8-19(17)24)10-11-23-28(25,26)21-15-18(22)7-9-20(21)27-2/h6-9,14-15,23H,3-5,10-13H2,1-2H3
InChIKeySEJCXDHAZRSNQI-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 16837754) is 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is CCCN1CCCc2cc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)ccc21.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is SEJCXDHAZRSNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-3-12-24-13-4-5-17-14-16(6-8-19(17)24)10-11-23-28(25,26)21-15-18(22)7-9-20(21)27-2/h6-9,14-15,23H,3-5,10-13H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 422.98 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16837754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).