3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide

C24H21ClN2O4S — CID 23122496

IUPAC3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cc2ccccc2nc1OCCOc1ccccc1
InChIInChI=1S/C24H21ClN2O4S/c1-17-20(25)11-7-13-23(17)32(28,29)27-22-16-18-8-5-6-12-21(18)26-24(22)31-15-14-30-19-9-3-2-4-10-19/h2-13,16,27H,14-15H2,1H3
InChIKeyFNOVCYMQTPOWDC-UHFFFAOYSA-N
MW468.96 g/mol
LogP5.46
Rot. Bonds8

About 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide

3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide (PubChem CID 23122496) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide
PubChem CID23122496
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cc2ccccc2nc1OCCOc1ccccc1
InChIInChI=1S/C24H21ClN2O4S/c1-17-20(25)11-7-13-23(17)32(28,29)27-22-16-18-8-5-6-12-21(18)26-24(22)31-15-14-30-19-9-3-2-4-10-19/h2-13,16,27H,14-15H2,1H3
InChIKeyFNOVCYMQTPOWDC-UHFFFAOYSA-N
XLogP5.46
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.96
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-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

Related Compounds

3-chloro-2-methyl-N-[4-(2-phenoxyethoxy)pyrimidin-5-yl]benzenesulfonamide
CID 23122642
3-chloro-2-methyl-N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]quinolin-3-yl]benzenesulfonamide
CID 57493692
CID 88884945
CID 88884945
3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide
CID 68845404
3-chloro-N-[6-[(3,4-dimethoxyphenyl)methoxy]pyrido[2,3-b]pyrazin-7-yl]-2-methylbenzenesulfonamide
CID 23122602
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-N-[7-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methoxy]pyrido[2,3-d]pyrimidin-6-yl]-2-methylbenzenesulfonamide
CID 23122712
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
3-chloro-N-[4-[[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]methoxy]-3-pyridinyl]-2-methylbenzenesulfonamide
CID 23122670
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide (CID 23122496) is 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2ccccc2nc1OCCOc1ccccc1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide?
The InChIKey is FNOVCYMQTPOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-17-20(25)11-7-13-23(17)32(28,29)27-22-16-18-8-5-6-12-21(18)26-24(22)31-15-14-30-19-9-3-2-4-10-19/h2-13,16,27H,14-15H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide has a molecular weight of 468.96 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(2-phenoxyethoxy)quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23122496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).