6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide

C18H18ClN3O3S — CID 110303737

IUPAC6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
SMILESO=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc21
InChIInChI=1S/C18H18ClN3O3S/c19-17-8-6-15(11-20-17)26(24,25)21-14-5-7-16-13(10-14)2-1-9-22(16)18(23)12-3-4-12/h5-8,10-12,21H,1-4,9H2
InChIKeyMPKIQMBGRXAIBY-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.22
Rot. Bonds4

About 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide

6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide (PubChem CID 110303737) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
PubChem CID110303737
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
SMILESO=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc21
InChIInChI=1S/C18H18ClN3O3S/c19-17-8-6-15(11-20-17)26(24,25)21-14-5-7-16-13(10-14)2-1-9-22(16)18(23)12-3-4-12/h5-8,10-12,21H,1-4,9H2
InChIKeyMPKIQMBGRXAIBY-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,4,5-trimethylbenzenesulfonamide
CID 7498812
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853215
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methyl-5-nitrobenzenesulfonamide
CID 7498834
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
CID 154934391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide (CID 110303737) is 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide is O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc21.
What is the InChIKey of 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide?
The InChIKey is MPKIQMBGRXAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c19-17-8-6-15(11-20-17)26(24,25)21-14-5-7-16-13(10-14)2-1-9-22(16)18(23)12-3-4-12/h5-8,10-12,21H,1-4,9H2.
What are the key properties of 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide?
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 110303737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).