1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H17ClN4O4S3 — CID 43853268

IUPAC1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H17ClN4O4S3/c1-12-20-21-18(28-12)22-29(24,25)16-8-9-17-13(11-16)3-2-10-23(17)30(26,27)15-6-4-14(19)5-7-15/h4-9,11H,2-3,10H2,1H3,(H,21,22)
InChIKeyVTNPVHHDSBETRF-UHFFFAOYSA-N
MW485.01 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 43853268) has the molecular formula C18H17ClN4O4S3 and a molecular weight of 485.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID43853268
Molecular FormulaC18H17ClN4O4S3
Molecular Weight485.01 g/mol
Exact Mass484.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C18H17ClN4O4S3/c1-12-20-21-18(28-12)22-29(24,25)16-8-9-17-13(11-16)3-2-10-23(17)30(26,27)15-6-4-14(19)5-7-15/h4-9,11H,2-3,10H2,1H3,(H,21,22)
InChIKeyVTNPVHHDSBETRF-UHFFFAOYSA-N
XLogP3.44
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-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

4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
1-[2-(2,4-dichlorophenoxy)acetyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853257
1-(3-fluorobenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853224
1-(2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853234
N-(5-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770361
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-naphthalen-2-yloxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853212
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853293

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 43853268) is 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is VTNPVHHDSBETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S3/c1-12-20-21-18(28-12)22-29(24,25)16-8-9-17-13(11-16)3-2-10-23(17)30(26,27)15-6-4-14(19)5-7-15/h4-9,11H,2-3,10H2,1H3,(H,21,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 485.01 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 43853268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).