2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide

C21H13Cl2FN2O3S — CID 71525221

IUPAC2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H13Cl2FN2O3S/c22-14-5-8-21(17(23)10-14)30(27,28)26-15-6-7-20(18(24)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
InChIKeyZTGVHNBZFLSODQ-UHFFFAOYSA-N
MW463.32 g/mol
LogP6.27
Rot. Bonds5

About 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide

2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide (PubChem CID 71525221) has the molecular formula C21H13Cl2FN2O3S and a molecular weight of 463.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
PubChem CID71525221
Molecular FormulaC21H13Cl2FN2O3S
Molecular Weight463.32 g/mol
Exact Mass462.00
IUPAC Name2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H13Cl2FN2O3S/c22-14-5-8-21(17(23)10-14)30(27,28)26-15-6-7-20(18(24)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H
InChIKeyZTGVHNBZFLSODQ-UHFFFAOYSA-N
XLogP6.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-131
CID 10229498
4-Bromo-N-{3,5-Dichloro-4-[(Quinolin-3-Yl)oxy]phenyl}-2,5-Difluorobenzene-1-Sulfonamide
CID 126970815
2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71525170
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide
CID 10116787
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-cyanophenyl]benzenesulfonamide
CID 12112546
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide
CID 22993865
2-(3-Chloro-5-pyridyloxy)-5-(2,4-dichlorobenzenesulfonamido)benzotrifluoride
CID 22993886
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
CID 23515186
2,4,6-trichloro-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 57651578
2,4-dichloro-6-methyl-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
CID 57651658
2,4-dichloro-N-(3,5-dichloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
CID 58031728
4-fluoro-N-[2-(8-quinolinyloxy)ethyl]benzenesulfonamide
CID 2228538

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide (CID 71525221) is 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cnc3ccccc3c2)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide?
The InChIKey is ZTGVHNBZFLSODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN2O3S/c22-14-5-8-21(17(23)10-14)30(27,28)26-15-6-7-20(18(24)11-15)29-16-9-13-3-1-2-4-19(13)25-12-16/h1-12,26H.
What are the key properties of 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide?
2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide has a molecular weight of 463.32 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 71525221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).