2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C19H18Cl2N2O3S — CID 43990163

IUPAC2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C19H18Cl2N2O3S/c20-14-6-8-16(21)18(10-14)27(25,26)22-15-7-5-12-2-1-9-23(17(12)11-15)19(24)13-3-4-13/h5-8,10-11,13,22H,1-4,9H2
InChIKeyXDNCPZWMABSYJB-UHFFFAOYSA-N
MW425.34 g/mol
LogP4.48
Rot. Bonds4

About 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 43990163) has the molecular formula C19H18Cl2N2O3S and a molecular weight of 425.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID43990163
Molecular FormulaC19H18Cl2N2O3S
Molecular Weight425.34 g/mol
Exact Mass424.04
IUPAC Name2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESO=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21
InChIInChI=1S/C19H18Cl2N2O3S/c20-14-6-8-16(21)18(10-14)27(25,26)22-15-7-5-12-2-1-9-23(17(12)11-15)19(24)13-3-4-13/h5-8,10-11,13,22H,1-4,9H2
InChIKeyXDNCPZWMABSYJB-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 43990163) is 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc21.
What is the InChIKey of 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is XDNCPZWMABSYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3S/c20-14-6-8-16(21)18(10-14)27(25,26)22-15-7-5-12-2-1-9-23(17(12)11-15)19(24)13-3-4-13/h5-8,10-11,13,22H,1-4,9H2.
What are the key properties of 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 425.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 43990163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).